May 2024 – Page 3 – Pu catalyst

strychnine

Structural formula

Business number	018H
Molecular formula	C21H22N2O2
Molecular weight	334.42
label	Horsetail acid, methacine, strychnine, strychnine, Strychnin, Sanaseed, Stricnina, Strychnos, Rodenticide

Numbering system

CAS number:57-24-9

MDL number:MFCD00005941

EINECS number:200-319-7

RTECS number:WL2275000

BRN number:52979

PubChem number:24899441

Physical property data

1. Characteristics: colorless powder

2. Density (g/mL,25/4℃)： SPAN>Undetermined

3. Relative vapor density (g/ mL,Air=1): Undetermined

4. Melting point (ºC): 284～286

5. Boiling Point (ºC,Normal pressure): Undetermined

6. Boiling Point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash Point (ºC ): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. saturated vapor pressure (kPa,60ºC): Undetermined

13. Burning Heat (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Explosion lower limit (%,V/V): Undetermined

19. Solubility: Hardly soluble in water, insoluble in ethanol, ether, slightly soluble in benzene and chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 93.15

2. Molar volume (m³/mol）：234.8

3. isotonic specific volume (90.2K):674.1

4. Surface Tension (dyne/cm):67.9

5. Polarizability（10^-24cm³): 36.92

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):32.8

7, Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 689

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 6

12. The number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

Extracted from the seeds of the plant strychnine.

Purpose

For organic synthesis.

Tetraethylthiuram disulfide

Structural formula

Business number	02CP
Molecular formula	C10H20N2S4
Molecular weight	296.55
label	accelerator TETD, Tetraethylthioperoxydicarbonate diamide, Tetraethylthiuram disulfide, Bis(diethylthiocarbamyl) disulfide, Accelerator TETD, 4 ethyl carbonate peroxide amide, Tetraethyl thiuram disulfide disulfide Long, Disulfide bis (diethyl thio carbamoyl), accelerator

Numbering system

CAS number:97-77-8

MDL number:MFCD00009048

EINECS number:202-607-8

RTECS number:JO1225000

BRN number:1712560

PubChem number:24278722

Physical property data

1. Character: yellow-white crystal

2. Density (g/mL, 20℃): 1.17

3. Relative vapor density (g/mL, air=1 ): Undetermined

4. Melting point (ºC): 65～70

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation Degree (º): Undetermined

10. Autoignition point or ignition temperature (ºC): 890

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Insoluble in water , slightly soluble in acetone, soluble in benzene, chloroform, and carbon disulfide.

Toxicological data

1. Irritation: Rabbit eye: 100mg, mild irritation.

2. Acute toxicity: Rat oral LD5O: 8600mg/kg

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 86.39

2. Molar volume (cm³/mol): 246.0

3. Isotonic specific volume (90.2K): 675.7

4. Surface expansion�� (dyne/cm): 56.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 34.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 121

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 201

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants.

2. Soluble in acetone, benzene, toluene, carbon disulfide and chloroform, slightly soluble in ethanol and gasoline, insoluble in water, dilute acid and dilute alkali. Irritating to skin and mucous membranes. Storage stable.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

1. Preparation of sodium diethyldithiocarbamate: Add diethylamine and carbon disulfide to an alkali solution with a density of 1.075kg/m3 (10°Bé) under stirring, and heat to 40~45°C for condensation reaction 2h, when the pH value is constant, it is the end point of the reaction. The reaction produces sodium diethyldithiocarbamate.

2. Preparation of accelerator TETD. Add 10% sodium nitrite aqueous solution dropwise to the product of the previous reaction at room temperature, stir and mix evenly, and the material will turn into a grass green color. After filtering out the residue, 4% dilute sulfuric acid was added dropwise, and air was blown in to control the reaction temperature below 10°C. The accelerator TETD produced by the reaction is precipitated as solid particles. After the reaction is complete, the material is discharged and filtered, and the filter cake is washed, centrifugally dehydrated, dried, and screened to obtain the finished product.

Purpose

Used as super accelerator and vulcanizing agent for natural rubber, styrene-butadiene rubber, nitrile rubber, butyl rubber, butadiene rubber and latex.
Commonly used in the manufacture of cables, medical supplies, tapes, rubber shoes, inner tubes, colorful products, etc.
In addition, it can also be used as a fungicide and insecticide.

Trichlorobutanol

Structural formula

Business number	018G
Molecular formula	C4H9ClO
Molecular weight	108.57
label	Trichlorobutanol, Chlorohydrin;, 1,1,1-Trichloro-2-methyl-2-propanol, preservative

Numbering system

CAS number:57-15-8

MDL number:None

EINECS number:200-317-6

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless crystal. It exists in two types of crystals: half-molecule crystal water type and anhydrous type.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): The melting point of the type containing half a molecule of crystal water is 78°C, and the melting point of the anhydrous type is 97

5. Boiling point (ºC, normal pressure): 167

6. Boiling point (ºC, 32.7kPa): 135

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC) : Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14 . Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19 . Solubility: The type containing half a molecule of crystal water is slightly soluble in water (1:250), easily soluble in ethanol (1:1), glycerol (1:10), ether, chloroform and volatile oils. The anhydrous type is easily soluble in hot water, 1g can be dissolved in 1ml ethanol or 10ml glycerol, and soluble in ether, petroleum ether, acetone, chloroform, glacial acetic acid, and oils.

Toxicological data

1. Skin or eye irritation: Rabbit, skin contact, standard Draize test, 850ug, mild reaction; Rabbit, eye contact, standard Draize test, 9180ug/30, mild reaction 2. Acute toxicity: dog oral LDLo : 238mg/kg; rabbit oral LDLo: 213mg/kg; frog parenteral LDLo: 800mg/kg 3. Mutagenicity: mutation microorganismsTEST system: bacteria – Salmonella typhimurium: 20umol/plate

Ecological data

Temporarily��

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 26.96

2. Molar volume (cm³/mol): 103.4

3. Isotonic specific volume (90.2K): 246.4

4. Surface tension (dyne/cm): 32.2

5. Polarizability (10^-24cm³): 10.68

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 83.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Stable properties under normal temperature and pressure.

Storage method

Store in a cool and dry place.

Synthesis method

1. Obtained from the reaction of acetone and chloroform: Add chloroform and acetone into the reaction pot at an ingredient ratio of 1:0.5, cool to 8°C, slowly add potassium hydroxide while stirring, and control the temperature not to exceed 15°C. After the addition is completed, maintain stirring at the same temperature for 2 hours, discharge, filter, and concentrate the filtrate until no distillate drips out. Stop heating, cool down to 25°C, add ice water, stir, precipitate crystals, centrifuge crystallization, centrifuge separation, wash the filter cake with distilled water until there is no chloride ion. Dry at 60-65°C for about 2 hours, sieve and package. The yield is 56% (based on chloroform). Raw material consumption quota: chloroform 1247kg/t, acetone 1688kg/t, potassium hydroxide 285kg/t.

Purpose

1. Mainly used as pharmaceutical raw materials to make antiseptics, antiemetics, and local analgesics. Its 1% aqueous solution or 5%-10% ointment can be used for disinfection and sterilization. It can also be used in organic synthesis.

2.Used as antiseptics, anesthetics, and cosmetic preservatives. The maximum allowable content (mass fraction) of cosmetics is 0.5%.

1,1-dimethylhydrazine

Structural formula

Business number	018F
Molecular formula	C2H8N2
Molecular weight	60.08
label	None

Numbering system

CAS number:57-14-7

MDL number:MFCD00007628

EINECS number:200-316-0

RTECS number:MV2450000

BRN number:605261

PubChem number:24893497

Physical property data

1. Properties: Colorless liquid with ammonia odor, hygroscopic. ^[1]

2. Melting point (℃): -58^[2]

3. Boiling point (℃): 63.9^[3]

4. Relative density (water=1): 0.78 (25℃)^[4]

5. Relative vapor density (air = 1): 2.1^[5]

6. Saturated vapor pressure (kPa): 16.4 (20℃)^[6]

7. Heat of combustion (kJ/mol): -1979^[7]

8. Critical temperature (℃): 250^[8]

9. Critical pressure (MPa): 5.42^[9]

10. Octanol/water partition coefficient: -1.19^[10]

11. Flash point (℃): -15 (CC) ^[11]

12 .Ignition temperature (℃): 249^[12]

13. Explosion limit (%): 95^[13]

14. Lower explosion limit (%): 2.0^[14]

15. Solubility: miscible with water, miscible with dimethylformamide, ethanol, and ether ,hydrocarbon. ^[15]

16. Refractive index (25ºC): 1.4508

17. Ignition point (ºC): 249

18. Heat of evaporation (KJ/mol): 35.02

19. Heat of fusion (KJ/mol): 10.08

20. Heat of generation (KJ/mol): 49.37

Toxicological data

1. Acute toxicity^[16]

LD50: 122mg/kg (rat oral); 1060mg/kg (rabbit dermal )

LC50: 252ppm (rat inhalation, 4h)

2. Irritation No information available

3 .Subacute and chronic toxicity ^[17] Dogs inhaled 12.5mg/m³, 6 hours a day, 5 times/week, 26 weeks, weight loss and lethargy , mild anemia.

4. Mutagenicity ^[18] Microbial mutagenicity: Salmonella typhimurium 42 μmol/dish. DNA repair: E. coli 600μg/dish. DNA damage: human fibroblasts 300 μmol/L.

5. Carcinogenicity ^[19] IARC Carcinogenicity Comment: G2B, suspected carcinogen in humans.

Ecological data

1. Ecotoxicity^[20]

LC50: 11.35mg/L (96h) (channel catfish); 7.85mg/L ( 96h) (fathead minnow, 30d); 38mg/L (24h) (water fleas)

2. Biodegradability^[21]

Aerobic biodegradation (h): 192~528

Anaerobic biodegradation (h): 768~2112

3. Abiotic degradation Properties^[22]

Photooxidation half-life in air (h): 0.8~7.7

Molecular structure data

1. Molar refractive index: 18.57

2. Molar volume (cm³/mol): 72.4

3. Isotonic specific volume (90.2K ): 166.4

4. Surface tension (dyne/cm): 27.8

5. Polarizability (10^-24cm³): 7.36

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 29.3

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 11.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Chemical properties: It has strong reducing properties. Contact with any oxidizing agent will cause combustion and explosion. Strongly hygroscopic. It reacts with acid to form salt; reacts with nitrous acid to form dimethylamine; reacts with aldehydes and ketones to form hydrazone.

2. Highly toxic and can cause cancer. After vapor is inhaled, irritation symptoms of the nasal cavity and throat, difficulty breathing, nausea, severe vomiting and neurological symptoms, neurasthenia, unsteady gait, convulsions, coma, etc. may occur. Eye manifestations include mild conjunctivitis. The oral LD50 of white mice is 265mg/kg. The time-weighted average allowable concentration of toxic substances in the air in the workplace is 0.5mg/m3; the allowable concentration for short-term exposure is 1.5mg/m3. There is no specific antidote for poisoning, only symptomatic treatment. The U.S. Occupational Safety and Health Administration stipulates that the maximum allowable exposure concentration in the air is 1mg/m3.

3. Stability^[23] Stable

4. Incompatible substances^[24] Oxidants, copper and its alloys, aluminum, iron, iron salts

5. Conditions to avoid contact ^[25] Heating

6. Polymerization hazard^[26] No polymerization

Storage method

Storage Precautions^[27] Store in a cool, well-ventilated special warehouse, and implement the “two people to send and receive, and two people to keep” system. Keep away from fire and heat sources. The storage temperature should not exceed 37℃. Keep container tightly sealed. They should be stored separately from oxidants, metal powders, and food chemicals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. This product can be synthesized by reacting ammonia, amine chloride and dimethylamine as raw materials. First, ammonia water and sodium hypochlorite are respectively sent to the one-step reactor for reaction to generate chlorinated amine, and then the chlorinated amine is sent to the two-step reactor to be synthesized with the dimethylamine aqueous solution to generate an aqueous solution of undimethylhydrazine, and then the synthetic liquid is sent to Enter a series of distillation towers for further distillation and distillation to remove excess ammonia, dimethylamine and partial hydrazone. After adding alkali for concentration and degassing, the finished product is obtained.

2. Preparation of N, N-dimethylhydrazine
In a 5-liter round-bottomed flask equipped with a mechanical stirrer, dropping funnel and thermometer, add 200 grams (2.7 moles) of nitrosodimethylamine, 3 liters of water and 650 grams (10 grams of atoms) 100% zinc powder. The reaction mixture was heated in a water bath to maintain the temperature at 25-30°C, and 1 liter (14 moles) of 85% acetic acid was added dropwise with stirring for about 2 hours. Then heat at 60°C for 1 hour, cool, filter out excess zinc powder, wash the combined aqueous solution with a small amount of water, place it in a 12-liter flask for steam distillation, install a dropping funnel on the flask, and add 1000 grams of hydroxide from the funnel The concentrated sodium solution makes the aqueous solution obviously alkaline, and steam distillation is carried out until the distillate has only a weak reducing effect on Fehling’s solution. About 5 to 6 liters of distillate is enough to completely take out dimethylhydrazine.
After the distillate is treated with 650 ml of concentrated hydrochloric acid, it is concentrated under reduced pressure and on a steam bath until the residue becomes slurry. The slurry is dropped onto a large excess of solid sodium hydroxide, and then distilled until the temperature rises to 100°C, a concentrated aqueous solution of dimethylhydrazine can be obtained. If potassium hydroxide is added to the concentrated aqueous solution of dimethylhydrazine, left to dry, and distilled again, the distillate is collected in a receiver containing barium hydroxide, left for a few days, and then distilled to collect the 62~65°C/765mm fraction. That is anhydrous dimethylhydrazine. If the slurry is treated with absolute ethanol, white crystals of dimethylhydrazine hydrochloride can be obtained.

Purpose

1. This product is used to produce plant growth regulators, and its phenolate can reduce the deposition of lubricating salts. It can also be used to absorb acidic gases, and can also be used as analytical reagents, high-energy fuels, and solvents.

2. Carbonyl protecting reagent. Used in numerous ring-enlarging reactions, alkylation of N, N-dimethylhydrazone, monoalkylation of α, β-unsaturated ketones and conversion of aldehydes into nitriles.

3. Used in chemical synthesis, as a stabilizer of organic peroxides, acid gas absorbent, and also used in photography and agriculture. ^[28]

Tetramethylthiuram monosulfide

Structural formula

Business number	02CN
Molecular formula	C6H12N2S3
Molecular weight	208.37
label	Tetramethylthiodicarbonamide, Tetramethylthiuram monosulfide, Rubber accelerator TMTM, Accelerator TMTM, Bisdimethylsulfide, Bis(dimethylthioamide) sulfide, 4-methyl-thio-2 carbon 2 amide, 4-dimethyl sulfide thiuram, Rubber accelerator TMTM, PromoterTMTM, Pair of dimethyl sulfide, Sulfide Bis (2-methylthio amide), accelerator, Catalysts and auxiliaries

Numbering system

CAS number:97-74-5

MDL number:MFCD00014870

EINECS number:202-605-7

RTECS number:WQ1750000

BRN number:1775650

PubChem number:24880353

Physical property data

1. Properties: yellow powder or granules

2. Relative density (g/mL, 25℃): 1.39-1.40

3. Relative vapor density (g/mL , air=1): Not determined

4. Melting point (ºC): 110

5. Boiling point (ºC, normal pressure): Not determined

6 . Boiling point (ºC, kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): 156

9. Ratio Optical rotation (º): Not determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, ºC): Not determined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC ): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Insoluble Soluble in water, gasoline, ethanol, benzene, acetone, chloroform.

Toxicological data

Acute toxicity: intraperitoneal – rat LD50: 383 mg/kg; oral – mouse LD50: 818 mg/kg

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 59.86

2. Molar volume (cm³/mol): 166.0

3. Isotonic specific volume (90.2K ): 465.9

4. Surface tension (dyne/cm): 62.0

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 23.73

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 96

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 147

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants.

2. Soluble in benzene, acetone, dichloroethane, carbon disulfide, toluene, chloroform, slightly soluble in ethanol and ether, insoluble in gasoline and water. Odorless, tasteless and non-toxic. Storage stable.

Storage method

Synthesis method

Add tetramethylthiuram disulfide (accelerator TMTD) and sodium cyanide to the reaction kettle, then add water and ethanol, and raise the temperature to 40-50°C with stirring to carry out desulfurization reaction. After the reaction is complete, cool down and let stand for stratification. After the oil layer is washed with water, separated and dehydrated, the finished product is obtained.

Purpose

Used as vulcanization accelerator for natural rubber and synthetic rubber.

2-Chloropropane

Structural formula

Business number	01JE
Molecular formula	C3H7Cl
Molecular weight	78
label	Isopropyl chloride, Aliphatic halogenated derivatives

Numbering system

CAS number:75-29-6

MDL number:MFCD00000867

EINECS number:200-858-8

RTECS number:TX4410000

BRN number:1730782

PubChem number:24845308

Physical property data

1. Properties: colorless transparent liquid ^[1]

2. Melting point (ºC): – 117.2^[2]

3. Boiling point (ºC): 35.7^[3]

4. Relative density (water = 1): 0.86 (20ºC) ^[4]

5. Relative vapor density (air=1): 2.71^[5]

6. Saturated vapor pressure (kPa): 68.7 (25.5ºC) ^[6]

7. Heat of combustion (KJ/mol): -2014.8^{[ 7]}

8. Critical temperature (ºC): 212^[8]

9. Critical pressure (MPa): 4.72^[9]

10. Octanol/water partition coefficient: 1.9^[10]

11. Flash point (ºC): -32 (CC)^[11]

12. Ignition temperature (ºC): 593^[12]

13 . Explosion upper limit (%): 10.7^[13]

14. Explosion lower limit (%): 2.8^[14]

15. Solubility: Slightly soluble in water, soluble in methanol, ether and benzene. ^[15]

16. Volume expansion coefficient (K^-1, 20ºC): 0.001591

17. Critical density ( g·cm^-3): 0.325

18. Critical volume (cm³·mol^-1): 242

19. Critical compression factor: 0.527

20. Eccentricity factor: 0.224

21. Heat of evaporation (KJ/mol, b.p.): 26.29

22. Heat of fusion (KJ/kg): 94.12

23. Heat of formation (KJ/mol, 25ºC, liquid): 164.1

24. Heat of combustion (KJ /mol, 25ºC, liquid): 2018.04

25. Lennard-Jones parameter (A): 8.399

26. Lennard-Jones parameter (K): 206.4

27.Solubility parameter (J·cm^-3)^0.5：16.455

28.van der Waals area (cm²·mol^-1): 6.610×10⁹

29. van der Waals volume (cm³·mol^-1): 45.740

30. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -172.1

31. Liquid phase standard hot melt (J·mol^-1·K^-1): 133.7

32. Gas phase Standard claimed heat (enthalpy) (kJ·mol^-1): -144.8

33. Gas phase standard entropy (J·mol^-1·K ^-1): 306.05

34. Gas phase standard free energy of formation (kJ·mol^-1): -61.3

35. Gas phase standard hot melt (J·mol^-1·K^-1): 87.56

Toxicological data

1. Acute toxicity Rat caliber LD50: 5mg/kg; Rat inhalation LC50: 120mg/m3; Mouse caliber LD50: 1300mg/kg; Mouse inhalation LCLO: 119mg/m3;

2. Other multi-dose toxicity data Rat inhalation LC50: 236 gm/m3/30M/1W-I;

3. Teratogenicity Salmonella: 1 gm/plate;

4 , has a strong anesthetic effect and damages the liver and kidneys, but…��The irritation effect on skin and mucous membranes is very light.

5. Acute toxicity^[16]

LD50: 5g/kg (rat Oral); 1300mg/kg (oral in mice)

LC50: 120g/m³ (rat inhalation)

6. Irritation No information available

7. Subacute and chronic toxicity^[17] Rat, Rabbits, mice, guinea pigs and monkeys inhaled 3.21g/m³, 7 hours a day, 5 days a week, 127 times. The animals all survived, with no abnormalities in growth and appearance. Some animals have pathological changes in liver and kidneys.

8. Mutagenicity^[18] Microbial mutagenicity: Salmonella typhimurium 1g/dish.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability^[19] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm3, the degradation half-life is 17d (theoretical).

Molecular structure data

1. Molar refractive index: 20.75

2. Molar volume (cm³/mol): 89.8

3. Isotonic specific volume (90.2K ): 187.3

4. Surface tension (dyne/cm): 18.9

5. Polarizability (10^-24cm³): 8.22

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 10.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. When burned, toxic gases such as phosgene are generated. It decomposes into propylene and hydrogen chloride at high temperature (about 400°C). Isopropyl alcohol is produced during hydrolysis. Because the chlorine atoms in its structure are very active, they can react with aromatic amines and aliphatic amines, and remove hydrogen chloride to form N-isopropyl aromatic amines and isopropyl aliphatic amines. The chlorine atoms are hydrolyzed to form isopropyl alcohol.

2. Vapor and liquid can irritate skin, eyes and respiratory system. It has an anesthetic effect at high concentrations and can depress the central nervous system. Long-term exposure can cause damage to the liver and kidneys.

3. Stability^[20] Stable

4. Prohibited use Substances^[21] Strong oxidants, strong bases

5. Conditions to avoid contact^{[ 22]} Heating

6. Polymerization hazard^[23] No polymerization

7. Decomposition products^[24] Hydrogen chloride

Storage method

Storage Precautions^[25] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 29°C. Keep container tightly sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Obtained from the reaction of propylene and anhydrous hydrogen chloride. Mix dry hydrogen chloride and propylene at a molar ratio of 1:1.2, pass them into a reactor equipped with an activated clay catalyst, react at 120-140°C, and condense the product to obtain 2-chloropropane. The yield is 65%. It can also be obtained by the reaction of isopropyl alcohol and hydrogen chloride in the presence of zinc chloride.

【Preparation method】
　1. Isopropyl alcohol chlorination method

　2. Addition method of propylene and hydrogen chloride

Purpose

1. Organic synthetic raw materials, used to make the pesticide piclochlor and also used as solvents. Used as a solvent for fats and oils and as a special solvent for organic synthesis. It is also used as a raw material for the manufacture of surgical anesthetics and thymol.

2. Used as a solvent and used in the manufacture of isopropylamine. ^[26]

Isobutyric anhydride

Structural formula

Business number	02CM
Molecular formula	C8H14O3
Molecular weight	158.19
label	2-Methylpropionic anhydride, isobutyric anhydride, n-butyric anhydride, Isobutyric anhydride, (Iso-c3h7co)2o, 1-Methylpropanoic anhydride, 2-Methylpropanoic acid anhydride, 2-Methyl-propanoicacianhydride, 2-Methylpropanoiccidanhydride, Anhydrideisobutyrique, Isobutryic anhydride, Isobutyric acid anhydride, (CH3)2CHCO2COCH(CH3)2

Numbering system

CAS number:97-72-3

MDL number:MFCD00008913

EINECS number:202-603-6

RTECS number:NQ5550000

BRN number:386267

PubChem number:24881086

Physical property data

1. Properties: Colorless transparent liquid with pungent odor. ^[1]

2. Melting point (℃): -55.9~-52.9^[2]

3. Boiling point ( ℃): 181.5~183^[3]

4. Relative density (water=1): 0.954^[4]

5. Relative vapor density (air=1): 5.45^[5]

6. Saturated vapor pressure (kPa): 3.2 (92.4℃)^[6]

7. Octanol/water partition coefficient: 1.24^[7]

8. Flash point (℃): 59.44^[8]

9. Ignition temperature (℃): 329^[9]

10. Explosion limit (%): 7.7 ^[10]

11. Lower explosion limit (%): 1.09^[11]

12. Solubility: slightly soluble In water, miscible in ethanol and ether. ^[12]

13. Refractive index: 1.406

Toxicological data

1. Acute toxicity No data available

2. Irritation No data available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[13] This substance is harmful to the environment and should be specially Pay attention to water pollution.

Molecular structure data

1. Molar refractive index: 40.83

2. Molar volume (cm³/mol): 161.9

3. Isotonic specific volume (90.2K ): 374.9

4. Surface tension (dyne/cm): 28.7

5. Polarizability (10-24cm3): 16.18

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors.��:0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 4

5. Number of tautomers :None

6. Topological molecule polar surface area 43.4

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 141

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Uncertain atoms Number of stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[14] Stable

2. Incompatible substances^[15] Strong oxidants, strong bases, alkalis

3. Avoid contact with air^[16] Humid air

4. Hazards of aggregation^[17] No aggregation

Storage method

Storage Precautions^[18]Stored in a cool, dry and well-ventilated warehouse. The storage temperature should not exceed 37℃. Keep away from fire and heat sources. The packaging must be sealed and protected from moisture. They should be stored separately from oxidants, alkalis, etc. and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used as an intermediate for synthesizing pesticides and drugs to prepare isobutyrate plasticizers, flavors, and spices. ^[19]

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Urea

Structural formula

Business number	018E
Molecular formula	CH4N2O
Molecular weight	60.06
label	carbonamide, urea, carbamide urea, Urea (industrial use), Urea, carbonamide, carbonamide, Aminomethamine, Alpharate, Carbonyldiamide, Carbamide, Ureaphil

Numbering system

CAS number:57-13-6

MDL number:MFCD00008022

EINECS number:200-315-5

RTECS number:YR6250000

BRN number:635724

PubChem number:24900617

Physical property data

1. Character: White, tasteless, odorless crystal or powder

2. Density (g/mL, 25 /4℃): 1.323

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 132.9℃. When heated above the melting point, it decomposes into biuret, chlorine and cyanuric acid.

5. Boiling point (ºC, normal pressure): 383

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: 1.4299

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in water, ethanol and benzene, 1g of this product is soluble in 1ml, 10ml95% ethanol, 1ml95% boiling water Ethanol, 20ml absolute ethanol, 6ml methanol and 2ml glycerin. Slightly soluble in ether, insoluble in chloroform.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Moore’s foldEmissivity: 13.78

2. Molar volume (cm³/mol): 49.5

3. Isotonic volume (90.2K): 135.0

4. Surface tension (dyne/cm): 55.3

5. Polarizability (10^-24cm³): 5.46

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -1.4

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 69.1

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 29

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. It has certain hygroscopicity and will decompose when heated above the melting point.

Storage method

1. This product should be sealed and stored in a cool, dry place.

Synthesis method

1. Urea is the final product of protein metabolism in mammals. In 1922, industrial production of urea using ammonia and carbon dioxide was realized in Germany. Ammonia reacts with carbon dioxide to form amine carbamate, which is then dehydrated to form urea.

2.Ammonia reacts with carbon dioxide to form ammonium carbamate, which is then dehydrated to form urea.

The purified ammonia and carbon dioxide are mixed and sent to the synthesis tower at a molar ratio of 2.8 to 4.5. The pressure in the tower is 13.8 to 24.6MPa, the temperature is 180 to 200°C, and the reaction material residence time is 25 to 40 minutes to obtain excess ammonia. and urea solution of ammonium carbamate (urea solution). After decompression and cooling, the urea liquid after separating ammonia and ammonium carbamate is evaporated and concentrated to more than 99.5%, and then granulated in a granulation tower to obtain the finished urea.

There are currently 4 popular processes in the world: the CO2 stripping process of Stamicarbon in the Netherlands, and Snam in Italy. Progeti’s NH3 stripping process, Japan’s Mitsui Toyo’s ACES process and Italy’s Monte Edison’s IDR process. Foreign countries have recently successfully developed a new process for high-efficiency combined urea production. This process is a major improvement based on the aqueous solution circulation method. Its scale can be large or small, and it is especially suitable for the technological transformation and production conversion of medium and small nitrogen fertilizer enterprises in my country. Its consumption indicators per ton of urea are almost indistinguishable from those of the above-mentioned advanced processes. The process flow is as follows:

3 .Calcium cyanamide generates cyanamide under the action of sulfuric acid, and then reacts with water to form urea:

After decolorization and recrystallization, the finished product is obtained

Purpose

1. Urea is mainly used as chemical fertilizer. Industrially, it is also used as a raw material for the manufacture of urea-formaldehyde resin, polyurethane, and melamine-formaldehyde resin. It is also widely used in medicine, explosives, tanning, flotation agents, pigments, and dewaxing of petroleum products. When urea is heated to 200°C, it generates solid tripolychloric acid (cyanuric acid). Derivatives of cyanuric acid: trichloroisocyanuric acid, sodium dichloroisocyanurate, tri(2-hydroxyethyl) isocyanurate, tri(allyl)isocyanurate, tri(3,5-di Tert-butyl-4-hydroxybenzyl) isocyanate, triglycidyl isocyanurate, melamine cyanurate complex, etc. have many important applications. The first two are new high-end disinfectants and bleaches. The total production capacity of trichloroisocyanuric acid in the world exceeds 80,000 tons.

2.Test antimony and tin, and determine lead, copper, gallium, phosphorus, iodide, and nitrate.

3.As a non-protein nitrogen source for ruminants, it is added to feed.

4.Used as analytical reagents and stabilizers. Also used in organic synthesis.

5.Used as a solubilizer for liquid detergents. Used in the preparation of toothpaste, it can inhibit the growth of lactobacilli and dissolve the plaque on the tooth surface, thereby acting as an anti-acid and desensitizing agent. Also used in cosmetics. Also used as a reagent for testing antimony and tin. Used to prepare strontium salts, fireworks, etc.

6.Used for moisturizing and moisturizing in cosmetics.

7.It has a brightening effect on chemical polishing of steel and stainless steel, and is used as a corrosion inhibitor in metal pickling. Preparation of palladium activation solution.

Isobutane

Structural formula

Business number	01JD
Molecular formula	C4H10
Molecular weight	58.12
label	2-Methylpropane, Trimethylmethane, Trimethylmethane, 2-Methylpropane, Aliphatic hydrocarbons

Numbering system

CAS number:75-28-5

MDL number:MFCD00008926

EINECS number:200-857-2

RTECS number:TZ4300000

BRN number:1730720

PubChem ID:None

Physical property data

1. Properties: colorless, slightly odorous gas. ^[1]

2. Melting point (℃): -159.6^[2]

3. Boiling point (℃): -11.8^[3]

4. Relative density (water=1): 0.56 (20℃)^[4]

5. Relative vapor density (air=1): 2.01^[5]

6. Saturated vapor pressure (kPa): 304 (20℃)^[6]

7. Heat of combustion (kJ/mol): -2871.1^[7]

8. Critical temperature (℃): 134.69^[8]

9. Critical pressure (MPa): 3.65^[9]

10. Octanol/water partition coefficient :2.76^[10]

11. Flash point (℃): -82.8^[11]

12. Ignition Temperature (℃): 460^[12]

13. Explosion limit (%): 8.5^[13]

14 .Lower explosion limit (%): 1.4^[14]

15. Solubility: Slightly soluble in water, soluble in ether, ethanol, and chloroform. ^[15]

16. Lennard-Jones parameter (A): 5.5342

17. Lennard-Jones parameter (K): 274.84

18. Solubility parameter (J·cm^-3)^0.5: 14.027

19. van der Waals area (cm²·mol^-1): 6.930×10⁹

20. van der Waals volume (cm³ sup>·mol^-1): 47.790

21. Critical volume (cm³·mol^-1): 259

22. Critical density (g·cm^-3): 0.224

23. Critical compression factor: 0.278

24 .Eccentricity factor: 0.177

25. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -2868.2

26. Gas phase standard claim Heat (enthalpy) (kJ·mol^-1): -135.0

27. Gas phase standard entropy (J·mol^-1·K^-1): 295.50

28. Gas phase standard free energy of formation (kJ·mol^-1): -21.4

29. Gas phase standard hot melt (J·mol^-1·K^-1): 96.65

30. Liquid phase standard combustion heat (enthalpy) (kJ ·mol^-1): -2848.9

31. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -154.3

32. Liquid phase standard entropy (J·mol^-1·K^-1): 217.94

33. Liquid phase Standard free energy of formation (kJ·mol^-1): -17.8

34. Liquid phase standard hot melt (J·mol^-1·K ^-1)：141.64

Toxicological data

1. Acute toxicity: rat inhalation LC50: 57 pph/15M; mouse inhalation LC50: 1041 gm/m3/2H;

Ecological data

1. EcotoxicityNo information available

2. Biodegradability No information available

3. Non-biodegradability^[16] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm³, the degradation half-life is 6.9d (theoretical).

4. Other harmful effects ^[17] This substance may be harmful to the environment. Special attention should be paid to surface water, soil, atmosphere and drinking water. of pollution.

Molecular structure data

1. Molar refractive index: 20.53

2. Molar volume (cm³/mol): 94.9

3. Isotonic specific volume (90.2K ): 188.6

4. Surface tension (dyne/cm): 15.5

5. Dielectric constant (F/m): 1.77

6. Polar Chemical rate (10^-24cm³): 8.14

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 4.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Stability^[18] Stable

2. Incompatible substances^[19] Strong oxidants, strong acids, strong bases, halogens

3. Polymerization hazards^[20] No polymerization

Storage method

Storage Precautions^[21]Stored in a cool, ventilated warehouse dedicated to flammable gases. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with leakage emergency response equipment.

Synthesis method

1. Exists in petroleum gas, natural gas and cracked gas. It is obtained by separating the carbon four fractions produced during the petroleum cracking process.

2. Use industrial isobutane as raw material (content is 82% to 91%), and adopt a three-stage adsorption process. The first-stage adsorber removes impurities such as C2, C3, n-butane and 1-butene, the second-stage adsorber removes isobutylene, and the third-stage adsorber further removes C2 and C3 hydrocarbon impurities. The product purity is greater than 99.99%.

Purpose

1. Used to produce isooctane through alkylation with isobutylene and used as a gasoline octane number improver. Isobutylene and propylene can be produced through cracking. Alkylation with isobutylene and propylene can produce alkylated gasoline. Methacrylic acid, acetone and methanol can be prepared. It can also be used as a refrigerant.

2. High-purity isobutane is mainly used as standard gas and for preparing special standard mixed gas.

3. Used to synthesize isooctane, as a gasoline octane number improver, used to make isobutylene, propylene, methacrylic acid, and used as refrigerant, etc. ^[22]

N-acetyl-L-alanine

Structural formula

Business number	02CL
Molecular formula	C5H9NO3
Molecular weight	131.13
label	N-acetyl-L-alpha-alanine, N-acetyl-L-aniline, N-acetyl alanine, Alpha-acetamide propionic acid, Acetyl-L-alanine, Alpha-acetamide propionic acid, N-alpha-acetyl-l-alanine, N-acetyl-l-alanine, N-acetyl-l-a-alanine, N-acetyl-l-ala, H-acetyl-ala-oh, Acetyl-l-alanine, Ac-ala-oh, Ac-alanine

Numbering system

CAS number:97-69-8

MDL number:MFCD00063132

EINECS number:202-602-0

RTECS number:None

BRN number:1722932

PubChem number:24890887

Physical property data

Characteristics: white solid.
Density (g/mL, 20℃): Undetermined
Relative vapor density (g/mL, air=1): Undetermined
Melting point ( ºC): 125-126
Boiling point (ºC, normal pressure): Undetermined
Boiling point (ºC, KPa): Undetermined
Refractive index: Undetermined Determined
Flash point (ºC): Not determined
Specific optical rotation (º): Not determined
Autoignition point or ignition temperature (ºC): Not determined Determined
Vapor pressure (mmHg, ºC): Undetermined
Saturation vapor pressure (kPa, ºC): Undetermined
Heat of combustion (KJ/mol) : Undetermined
Critical temperature (ºC): Undetermined
Critical pressure (KPa): Undetermined
Oil-water (octanol/water) partition coefficient Log value: Undetermined
Upper explosion limit (%, V/V): Undetermined
Lower explosion limit (%, V/V): Undetermined
Solubility: Not determined

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 27.26

2. Molar volume (cm³/mol): 93.0

3. Isotonic specific volume (90.2K ): 260.2

4. Surface tension (dyne/cm): 61.2

5. Polarizability (10-24cm3): 10.80

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecular pole��Surface area (TPSA): 66.4

7, Number of heavy atoms: 9

8, Surface charge: 0

9, Complexity: 132

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 1

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

Avoid contact with oxidizing agents.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None

Purpose

1. Biochemical research.