May 2024 – Page 11 – Pu catalyst

Quinidine

Structural formula

Business number	017Q
Molecular formula	C20H24N2O2
Molecular weight	324.42
label	Isoquinine; Isoquinine;

Numbering system

CAS number:56-54-2

MDL number:MFCD00135581

EINECS number:200-279-0

RTECS number:VA4725000

BRN number:91866

PubChem number:24899331

Physical property data

1. Characteristics: White shiny crystal. Products containing crystal water will weather in the air. Sensitive to light. Friction can produce light.

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

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

4. Melting point (ºC): 174～175℃（无水品）

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

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

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): [α]_D¹⁵+230°(C=1.8, in chloroform),[α]_D¹⁷+258°（C＝1 , ethanol (中), [α]_D¹⁷+ 322°(C=1.6，2mol/Lhydrochloric acid)

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

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

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

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

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Unconfirmed.�

16. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Not OK

18. Lower explosion limit (%,V/V): Not OK

19. Solubility:In Blue fluorescence occurs in dilute sulfuric acid. Very soluble in methanol,1gProduct dissolves in approx.2000mlCold water,800ml Boiling water,360mlEthanol,56mlB�, 1.6mlChloroform, almost insoluble in petroleum ether.

Toxicological data

1, Skin or Eye Irritation: Rabbit, Skin Contact, Standard Draize test, 3%, mild reaction
2, acute toxicity: rat oral LD50: 263mg/kg; rat intravenous LD50: 23mg/kg ; Rat LD50: 60mg/kg; Mouse oral LD50 : 535mg/kg; Mouse abdominal cavity LD50: 135mg/kg; Mouse subcutaneous LDLo: 400mg/kg; Mouse intravenous LD50: 53600mg/kg; Mouse intramuscular LD50: 200mg/kg; Feline vein LD50: 30mg/kg
3 , Other multiple dose toxicity: Rat oral TDLo: 650mg/kg/7W-I

Ecological data

None

Molecular structure data

1. Molar refractive index: 95.78

2. Molar volume (m³/mol）：266.3

3. Isotonic specific volume (90.2K):728.7

4. Surface Tension (dyne/cm):56.0

5. Polarizability（10^-24cm³): 37.97

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):45.6

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 457

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 4

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

This product should be sealed and stored away from light.

Synthesis method

for the Golden Rooster The alkaloids contained in napi are isomers of quinine. It can be obtained by extracting quinine, cinchonine and cinchonidine from cinchona bark, extracting quinine from the mother liquor, and then treating it with sulfuric acid.

Purpose

Chiral catalyst. medicine.

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Dichlorophenol

Structural formula

Business number	02BY
Molecular formula	C13H10Cl2O2
Molecular weight	269.12
label	diclofen, 2,2′-Methylenebis(4-chlorophenol), Dichlorophenol, Dichlorophenol, 2,2′-Methylenebis(4-chlorophenol), 2,2′-dihydroxy-5,5′-dichlorodiphenylmethane, 2,2′-dihydroxy-5,5′-dichlorobiphenylmethane, 2,2′-Methylenebis(4-chlorophenol), NL-4 bactericidal algaecide, Anthiphen,Cordocel,Didroxane,Gingivit, 2,2′-Dihydroxy phenyl-5,5′-dichloromethane, 5,5′-Dichloro-2,2′-dihydroxy phenyl methane, Biocide-algaecide NL-4, Fungicide

Numbering system

CAS number:97-23-4

MDL number:MFCD00002322

EINECS number:202-567-1

RTECS number:SM0175000

BRN number:1884514

PubChem number:24848095

Physical property data

1. Properties: Reddish brown to dark brown liquid

2. Melting point (ºC): 177~178

3. Solubility: Almost insoluble in water, soluble in organic solvents such as ethanol and toluene.

4. Relative density: 1.11~1.16

5. ph value: 13~14

Toxicological data

1. Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 50μg/24HREACTION SEVERITY, strong reaction;

2. Acute toxicity: Rat oral LD50: 1506mg/kg; Rat intravenous LD50: 17mg/kg; Mouse oral LC50: 1mg/kg; Dog oral LD50: 2mg/kg; Guinea pigs Oral LD50: 1250mg/kg;

3. Mutagenicity: Mutant microorganism test: bacteria – Salmonella typhimurium, 50μmol/plate; Mutant microorganism test: bacteria – Salmonella typhimurium, 150μg/plate

Ecological data

It is extremely harmful to water and toxic to fish. Do not let the product enter the water body.

Molecular structure data

1. Molar refractive index: 69.12

2. Molar volume (cm³/mol): 189.5

3. Isotonic specific volume (90.2K ): 520.0

4. Surface tension (dyne/cm): 56.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 27.40

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 5

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 226

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. White crystal or light gray powder, soluble in most solvents such as ethanol and ether and alkali, slightly soluble in benzene, and insoluble in water.

3. This product has low toxicity.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together.

2. Equipped with corresponding varieties and quantities of fire-fighting equipment.

3. The storage area should be equipped with leakage emergency treatment equipment and suitable containment materials.

Synthesis method

1. Obtained from the reaction of p-chlorophenol and formaldehyde. The post-shrinking reaction is carried out in the solvent methanol (or ethanol), using sulfuric acid as the catalyst, and the reaction temperature is controlled below -5°C. Another process method is to use molecular sieves as catalysts. In this case, the condensation reaction of p-chlorophenol and formaldehyde is carried out at 110°C.

2. First, combine the solvent ethanol and Add a catalyst amount of concentrated sulfuric acid to the reaction kettle, then add 277kg of p-chlorophenol, cool to -10~0°C, start adding 30kg of formaldehyde dropwise, and react for 6 hours. After the reaction is completed, let it stand, filter and dry to obtain a solid product.

3.It is obtained by the condensation reaction of p-chlorophenol and formaldehyde. One method is to conduct it in the solvent methanol (or ethanol) and use sulfuric acid as the catalyst. Molecular sieves can also be used as catalysts, and the reaction is carried out at a temperature of 110°C.

4.The condensation reaction of p-chlorophenol and formaldehyde is carried out in the solvent methanol (or ethanol) with sulfuric acid as the catalyst. The reaction temperature is controlled below -5°C; or molecular sieves are used as catalysts and the reaction can be carried out at a temperature of 110°C.

Purpose

1. Used as biocide in industrial processing. It has high activity against bacteria, fungi, algae and yeast. It is widely used in cooling circulating water treatment in chemical fertilizer, petrochemical, oil refining, metallurgy and other industries. When the dosage is 50~100g/m3, the 24h sterilization rate reaches more than 99%. It can also be used as an anti-fogging agent for strong materials, pulp and wood.

2.In oil field chemicals, it can be used as a bactericide in water-based oil well fracturing fluids. The dichlorophenol used in the circulating water system is an aqueous solution in the form of a single sodium salt. Since it is a reddish-brown liquid, putting it into the circulating water will affect the color of the water. Dichlorophenol has good biocidal and inhibitory effects on heterotrophic bacteria, iron bacteria, sulfate-reducing bacteria and other fungi and algae. It is an efficient and broad-spectrum biocide. The applicable range of pH is wider, and the treatment effect is better under alkaline conditions. Spraying wooden cooling towers with commercial dichlorophenol solution can reduce the amount of biocide used in circulating water and prevent fungal erosion of wood. Chlorophenols should not be used together with cationic agents (such as quaternary ammonium salts, etc.), but their combined use with certain anionic surfactants can significantly reduce its dosage and Improve killing effect.

3.Dichlorophenol is effective against heterophilic bacteria, iron bacteria, sulfate-reducing bacteria and algae. It is a highly efficient and broad-spectrum fungicide with good bactericidal and inhibitory effects. It has a wide pH range and has better treatment effects in alkaline conditions. Spraying wooden cooling towers with dichlorophenol solution can reduce the amount of fungicides in circulating water and prevent fungi from corroding the wood. Chlorophenols should not be used together with cationic agents (such as quaternary ammonium salts, etc.), but their combined use with certain anionic surfactants can significantly reduce its dosage and Improve sterilization effect. Dichlorophenol used in circulating water systems is an aqueous solution in the form of a monosodium salt. Since it is a reddish-brown liquid, putting it into circulating water will affect the color of the water. The general mass concentration used is 100 mg/L, and the sterilization rate reaches more than 99%.

4.Preservative and antifungal agent for natural adhesives and synthetic rubber latex. It can be used as a fungicide in agriculture, medicine, and soap products.

2,2′-thiobis(4,6-dichlorophenol)

Structural formula

Business number	02BX
Molecular formula	C12H6Cl4O2S
Molecular weight	356.05
label	thiochlorophenol, Thiobisdichlorophenol, Beding, Schlorophenol, Sulfur double-dichlorophenol, Other small, antibacterial agent

Numbering system

CAS number:97-18-7

MDL number:MFCD00055727

EINECS number:202-565-0

RTECS number:SN0525000

BRN number:2003535

PubChem number:24900609

Physical property data

1. Properties: white crystalline powder.

2. Relative density (g/mL, 20℃): 1.73

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

4. Melting point (ºC): 185.5～186.5

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

6. Boiling point (ºC, kPa): Undetermined

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 (mmHg, 20.2ºC): 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, easily soluble in ethanol, acetone, ether, etc.

Toxicological data

1. Acute toxicity: Rat oral LD50:7mg/kg; Orally administered to miceLD50:760mg/kg; Mouse peritoneal cavityLD50：100mg/kg; Mice were intravenously injected with LD50: 18 m g/kg;2. Chronic toxicity/Carcinogenicity: oral administration in miceTDLo：12mg/kg/78W-I;

Ecological data

None

Molecular structure data

Molecular property data:

1. Molar refractive index: 81.84

2. Molar volume (cm³/mol): 202.7

3. Isotonic specific volume (90.2K): 608.8

4. Surface tension (dyne/cm): 81.3

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 32.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.8

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: 5

6. Topological molecule polar surface area 65.8

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 282

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

White crystalline powder, easily soluble in ethanol, acetone, soluble in dilute alkali solution, insoluble in water.
This product has low toxicity and almost no irritation to the skin.

Storage method

None

Synthesis method

1. Using phenol as raw material, it is first chlorinated to generate 2,4-dichlorophenol, and then sulfurized with sulfur monochloride to generate sulfur bisdichlorophenol. (1) Chlorination: 2,4-dichlorophenol is produced by reacting phenol with chlorine: First, melt the phenol and pass dry chlorine gas at 57-63°C for 35 hours. After the reaction is completed, 2,4-dichlorophenol is obtained. The yield can reach about 91.5%.

(2) Sulfided dichlorophenol React with sulfur monochloride in the presence of trichlorethylene and anhydrous aluminum trichloride to obtain sulfur bisdichlorophenol: add dichlorophenol, trichlorethylene, and anhydrous aluminum trichloride in the tank in sequence at 50 Add sulfur monochloride at ±2°C, complete the addition in about 2.5 hours, and then react at a constant temperature for 2 hours. Filter, wash with trichlorethylene and dry to obtain crude sulfur bisdichlorophenol. The yield can reach about 51.3%.

(3) Refined reaction Add crude sulfur bisdichlorophenol into the tank, then add sodium hydroxide solution, heat to dissolve, then cool to 0°C, add sodium chloride, stir to salt out, add saturated sodium chloride solution, and stir evenly. Leave to stand, filter, wash with saturated sodium chloride solution, and recover to obtain sodium thiobisdichlorophenate. Then dissolve it in distilled water, filter it, stir and add 3.5% hydrochloric acid at about 80°C to precipitate, let it stand, and separate the supernatant liquid. The precipitate is washed with distilled water until the pH value is 2, filtered, washed with water until the pH value is about 7, and dried to obtain thiobisdichlorophenol.

2. Using phenol as raw material Chlorination and sulfurization yield dichlorophenol sulfate.
Dry chlorine gas was passed into the molten phenol (57-63°C). After 35 hours, the yield of 2,4-dichlorophenol reached 91.5%. Then add dichlorophenol, trichlorethylene, and anhydrous aluminum trichloride to the reaction kettle, pass sulfur dichloride (SOCl2) at 48-52°C for 2.5 hours, and react at a constant temperature for 2 hours. After cooling, filter, wash with trichlorethylene, and dry to obtain crude thiochlorophenol. Dissolve crude thiochlorophenol in hot sodium hydroxide solution, add salt to salt out after cooling, and wash with saturated brine to obtain sodium thiochlorophenol. Sodium thiochlorophenol is dissolved in water, filtered and precipitated by adding dilute hydrochloric acid. After standing, filter out the precipitate, wash with water until neutral, and dry to obtain the finished product.

Purpose

1. This product is used as an antibacterial agent and a preservative for natural latex. It also has significant anti-coagulation effects. It can be used alone or in combination with ammonia. The general dosage is more than 0.001%. Latex can be added through emulsification or dispersion. Latex can also be added in the form of alkali metal or ammonium salts. This product is also used in the manufacture of anthelmintics and has a significant killing effect on paragonimiasis metacercariae. It is effective against Fasciolopsis and Clonorchis sinensis.
2.It is an antibacterial agent and veterinary drug. It can be used as a preservative for natural latex. It can be added to the latex through emulsification or dispersion. It can also be added to the latex in the form of alkali metal or ammonium salts. It also has a significant anti-coagulation effect. It can be used alone or It can be used together with ammonia, and the general dosage is more than 0.001%. It is effective in killing or treating paragonimiasis metacercariae, Fasciolopsis sinensis, and the tapeworm S. solium.

Diethylstilbestrol

Structural formula

Business number	017P
Molecular formula	C18N20O2
Molecular weight	268.35
label	(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene, DES, Stilbestrol

Numbering system

CAS number:56-53-1

MDL number:MFCD00002373

EINECS number:200-278-5

RTECS number:WJ5600000

BRN number:2056095

PubChem number:24893887

Physical property data

1. Characteristics: White small flake crystals.

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

3. Relative vapor density (g/mL,AIR=1): not OK

4. Melting point (ºC): 169～172

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

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

7. Refractive Index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

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

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

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

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

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined

17. Explosion limit (%,V/V): Not OK

18. Lower explosion limit (%,V/V): Not OK

19. Solubility:Solution Soluble in ethanol, ether, chloroform, fatty oils and dilute alkaline solutions, almost insoluble in water. Neutral to litmus.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 86.16

2. Molar volume (m³/mol）：260.0

3. isotonic specific volume (90.2K):654.4

4. Surface tension (dyne/cm) ：40.0

5. Polarizability（10^-24cm³):34.16

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 9

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 286

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: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed with argon and stored away from light.

Synthesis method

None

Purpose

For biochemical research. Detector for studying fluorine.

L-serine

Structural formula

Business number	017N
Molecular formula	C3H7NO3
Molecular weight	105.09
label	(S)-2-Amino-3-hydroxypropionic acid, L-silk amino acid; L-β-hydroxyalanine, (S)-2-Amino-3-hydroxypropionic acid, L-β-hydroxyalanine, nutritional supplements, Intermediates

Numbering system

CAS number:56-45-1

MDL number:MFCD00064224

EINECS number:200-274-3

RTECS number:VT8100000

BRN number:1721404

PubChem number:24899605

Physical property data

1. Properties: There are two types: levorotatory and racemic. The levorotatory is a white hexagonal prism crystal with a sweet taste; the racemate is a white monoclinic prism crystal. 2. Density (g/mL, 25/4℃): 1.415

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

4. Melting point (ºC): 223 ~228℃ (decomposition)

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): +15.1°(c=2,5mol /L hydrochloric acid)

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: L-body, soluble in Water, insoluble in anhydrous ethanol and ether; racemate. Slightly soluble in water, insoluble in colorless ethanol and ether.

Toxicological data

1. Mutagenicity: sister chromatids exchangeTEST system: human lymphocytes: 10mg/L

Ecological data

None

Molecular structure data

1. Molar refractive index: 22.54

2. Molar volume (cm³/mol): 74.2

3. Isotonic specific volume (90.2K): 216.4

4, Surface tension (dyne/cm): 72.2

5, Polarizability (10^-24cm³): 8.93

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 83.6

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 72.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

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. Stable properties under normal temperature and pressure.

2. Exist in tobacco leaves and smoke.

Storage method

This product should be kept sealed and dry.

Synthesis method

1. DL-serine is synthesized from glycine, and L-serine is extracted from biological materials such as silk.

2.Hydrolysis method

3.Chemical synthesis method
(1) Using hydroxyacetaldehyde Produced for raw materials.

(2) Use vinyl compounds as raw materials.
4. Enzymatic method
The intermediate DL-2 oxoxazolidine-4-carboxylic acid (DL-OOC) of chemically synthesized DL-serine is used as

5. Tobacco: BU, 22; FC, 21; Synthesis: It can be separated from protein (such as silk protein) hydrolyzate after removing tyrosine, glycine and alanine. Refined. It can also be obtained by amination and demethylation of a-bromo-β-methoxypropionic acid.
Raw material, serine can be produced using L-OOC hydrolase produced by Pseudomonas testosteroni or OOC racemase produced by Bacillus subtilis.

Purpose

1. Used as biochemical reagents and food additives.

2.Nutritional supplements, used as skin nutritional additives in cosmetics.

3. It can be used for biochemistry and nutritional research, and can also be used as a raw material for the synthesis of cycloserine.

Line removal phosphorus

Structural formula

Business number	02BW
Molecular formula	C10H13Cl2O3PS
Molecular weight	315.15
label	Phenophosphorus, O-(2,4-dichlorophenyl)-O,O-diethylphosphorothioate, Hexanema, Nemacide, Dichlofention, ,Dichlorofenthion, Mobilawn, O-(2,4-Dichlorophenyl)-O,O-Diethyl phosphorothioate, 97-17-6

Numbering system

CAS number:97-17-6

MDL number:MFCD00045182

EINECS number:202-564-5

RTECS number:TF0350000

BRN number:1993440

PubChem number:24868568

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 1.320

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

4. Melting point (ºC): Undetermined

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

6. Boiling point (ºC, 0.133kPa): 166

7. Refractive index: Undetermined

8. Flash point (ºC): 100

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20.2ºC): 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) distribution coefficient: Undetermined

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

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

19. Solubility: Insoluble in water, soluble in most organic solvents.

Toxicological data

1. Acute toxicity: Rat passing LD50: 172mg /kg; rats contact LD50: 355mg /Kg; rabbit skin contact LD50: 6mg /kg; pigeon mouth LD50: 75mg /kg; chicken mouth LD50: 148mg / kg; Quail oral LD50: 316mg/kg; Wild bird experience��LD50: 14mg/kg; 2. Mutagenicity: sister chromatid exchange experiment: human lymphocytes, 2mg/L;

Ecological data

This substance may be harmful to the environment and it is recommended not to let it enter the environment.

Molecular structure data

1. Molar refractive index: 74.24

2. Molar volume (cm³/mol): 231.5

3. Isotonic specific volume (90.2K ): 607.9

4. Surface tension (dyne/cm): 47.4

5. Polarizability (10-24cm3): 29.43

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: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 59.8

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 270

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

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. They should be stored separately from oxidants and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Obtained from the reaction of 2,4-dichlorophenol and O,O-diethylphosphorothioate chloride. Put 840 parts of 2,4-dichlorophenol and 923 parts of O,O-diethylthiophosphoryl chloride into the reaction pot, stir and heat to dissolve. Add 412 parts of 50% sodium hydroxide aqueous solution at 50°C, raise the temperature to 110°C and react for 2 hours. Then add the reaction material dropwise to a mixture of 124 parts of 25% sodium hydroxide, 1098 parts of water and 2410 parts of hexane, let it stand for layering, separate the hexane layer, evaporate the hexane, and collect 93- The 100℃ (6.7kPa) fraction is obtained.

Purpose

Used as agricultural nematicide.

L-alanine

Structural formula

Business number	017M
Molecular formula	C3H7NO2
Molecular weight	89.09
label	L-alpha-alanine, L-(+)-alanine, L-Oil amino acid, L-2-aminopropionic acid, 3-aminopropionic acid, (S)-2-Aminopropionic acid, L-α-Aminopropionic acid, L-a-Alanine, Enzymes and flavor enhancers

Numbering system

CAS number:56-41-7

MDL number:MFCD00064410

EINECS number:200-273-8

RTECS number:AY2990000

BRN number:1720248

PubChem number:24891260

Physical property data

1. Properties: colorless orthorhombic crystals or crystalline powder.

2. Density (g/mL, 25/4℃): 1.432

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

4. Melting point (ºC): 297

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, C=10, in water ): +2.42

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: soluble in water, ethanol , insoluble in ether and acetone.

Toxicological data

1. Mutagenicity: sister chromatids exchangeTEST system: human lymphocytes: 50mg/L

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 21.00

2. Molar volume (cm³/mol) 76.7

3. Isotonic specific volume (90.2K): 199.7

4. Surface tension (dyne/cm): 45.8

5. Polarizability (10^-24cm³): 8.32

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 63.3

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 61.8

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 1

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. Exist in tobacco leaves and smoke.

Storage method

Store in a sealed, cool and dry place.

Synthesis method

1. The propionic acid chlorination and ammoniation method uses propionic acid as raw material. In the presence of 105°C temperature and 3% red phosphorus catalyst, liquid chlorine is introduced for chlorination to generate 2-chloropropionic acid, and then enters ammonia In an aqueous solution, using methenamine as a catalyst, ammoniation is carried out at a temperature of 60°C to generate 2-aminopropionic acid. Finally, the reactant is sent into a methanol solution for crystallization, centrifuged, and dried to obtain α-alanine finished product. 2. α-Bromopropionic acid chlorination method: Mix α-bromopropionic acid, ammonia and ammonium bicarbonate and reflux for 7 hours, then evaporate to dryness, then soak in ethanol to wash away the ammonium bromide, filter out the crystals, and then filter through decolorization , add ethanol to obtain crystallization, filter and dry to obtain the finished product. 3. Cyanohydrin method: Acetaldehyde reacts with hydrocyanic acid to generate cyanohydrin, which is then reacted with ammonia to obtain aminonitrile; then it is hydrolyzed under alkaline conditions to generate sodium aminopropionate, and L-alanine is obtained through ion exchange.

2. Mainly uses L-aspartic acid as raw material, which is obtained bydecarboxylation, enzyme killing, decolorization, filtration, crystallization, centrifugation, washing and drying. Finished product.

3.Enzymatic method

4.Immobilized enzyme

5.Acrylonitrile method acrylonitrile React with ammonia in a solution of diphenylamine and tert-butyl alcohol at 109°C and 1176.798KPa pressure to generate β-aminopropionitrile:

Then it reacts with sodium hydroxide to generate β- Sodium aminopropionate:

Finally acidify with hydrochloric acid to generate β-aminopropionic acid:

6.β-aminopropionitrile method consists of β-aminopropionitrile Obtained by hydrolysis and acid precipitation.

7. Tobacco: BU, 21; FC, 20. In the experiment, acid hydrolysis of silk fiber (degummed white silk) was used.

8. Obtain orthorhombic crystals from water.

Purpose

1. Biochemical research. Tissue culture. Liver function tests.

2.Used as a flavor enhancer. It can increase the seasoning effect of condiments; it can also be used as a sour taste corrector to improve the sour taste of organic acids.

3.β-Alanine is used as Additive substances for electroless plating and electroplating, and also used in the preparation of electroplating corrosion inhibitors.

N-acetyl-DL-serine

Structural formula

Business number	02BV
Molecular formula	C5H9NO4
Molecular weight	147.13
label	None

Numbering system

CAS number:97-14-3

MDL number:MFCD00037248

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24890681

Physical property data

1. Properties: white crystal.

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

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

4. Melting point (ºC): 131-132

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 Determined

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

11. Vapor pressure (kPa, 25ºC): Not determined

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

19. Solubility: Soluble in water.

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 31.89

2. Molar volume (cm³/mol): 109.5

3. Isotonic specific volume (90.2K ): 300.0

4. Surface tension (dyne/cm): 56.3

5. Polarizability (10-24cm3): 12.64

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 2

6. Topological molecule polar surface area 86.6

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 145

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

Avoid contact with oxides and heat.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. 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

Biochemical research.

Glycine

Structural formula

Business number	017L
Molecular formula	C2H5NO2
Molecular weight	75.07
label	Glycine, ethylamine, Glycine (glycine), aminoacetic acid, Aminoacetic acid, Glycocoll, Gly, Aminoethanoic acid

Numbering system

CAS number:56-40-6

MDL number:MFCD00008131

EINECS number:200-272-2

RTECS number:MB7600000

BRN number:635782

PubChem number:24865701

Physical property data

1. Properties: White monoclinic or hexagonal crystals, or white crystalline powder. Odorless, with a special sweet taste.

2. Density (g/mL, 20/4ºC): 1.1607

3. Melting point (ºC): 290

4. Refractive index: 1.5370

5. Vapor pressure (kPa,,20ºC): 5×10-6kPa

6. Solubility (%, 0ºC, water): 14.18

7. Solubility (%, 25ºC, water): 24.99

8. Solubility (%, 50ºC, water): 39.10

9. Solubility (%, 75ºC, water): 54.39

10. Solubility (%, 100ºC, water): 67.17

11. Solubility: soluble in water, slightly soluble in pyridine, solubility in water: 25g/100ml at 25℃ ; 39.1g/100ml at 50℃; 54.4g/100ml at 75℃; 67.2g/100ml at 100℃. It is extremely difficult to dissolve in ethanol and dissolves about 0.06g in 100g of absolute ethanol. Almost insoluble in acetone and ether. Insoluble in organic solvents. Reacts with hydrochloric acid to form hydrochloric acid compounds.

Toxicological data

1. Acute toxicity: rat oral LD50: 7930mg/kg; rat subcutaneous LD50: 5200mg/kg;

rat intravenous LD50: 2600mg/kg; mouse oral LC50: 4920mg/kg;

Mouse abdominal cavity LC50: 4450mg/kg; mice LC50: 5060mg/kg;

Mouse venous LC50: 2370mg/kg; >2. Other multiple dose toxicity: rat subcutaneous TDLo: 45mg/kg/30D-I

3. Mutagenicity: SisterChromatid exchangeTEST system: human lymphocytes: 100mg/L

Ecological data

None

Molecular structure data

1. Molar refractive index: 16.41

2. Molar volume (cm³/mol) 59.8

3. Isotonic specific volume (90.2K) : 162.5

4. Surface tension (dyne/cm): 54.4

5. Polarizability (10^-24cm³): 6.50

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 63.3

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 42.9

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. Glycine is an amino acid with the simplest structure among the amino acid series and is non-essential to the human body. It has both acidic and alkaline functional groups in the molecule. It is a strong electrolyte in aqueous solution and has greater solubility in highly polar solvents. It is basically insoluble in non-polar solvents and has a high boiling point and melting point. Glycine can take on different molecular forms by adjusting the acidity and alkalinity of the aqueous solution. Reacts with hydrochloric acid to form hydrochloride. Non-toxic and non-corrosive.

2.This product is non-toxic and non-corrosive.

3. Exist in tobacco leaves and smoke.
　

Storage method

1. Packed in plastic bags with polypropylene woven bags, sacks or barrels, each bag is 25kg. Store in a cool, ventilated and dry place. Store and transport according to general chemical regulations

Synthesis method

1. Chloroacetic acidification method chloroacetic acid 95% 1600

Liquid ammonia industrial grade 880

Methenamine 98% 350

Ethanol 95% 1100

2. Strecker method formaldehyde 70 % 114

Sodium cyanide 70% 930

Ammonium chloride 70% 1020

Barium hydroxide 80% 1430

Sulfuric acid 90 % 725

3.Mix ammonia and ammonium carbonate and heat them on a water bath. Prepare a chloroacetic acid aqueous solution and add it dropwise to the above mixed solution. After the mixture is heated and kept warm, it is cooled and crystallized to obtain a crude product. Dissolve the crude product in boiling water, add methanol, and obtain pure glycine after crystallization. The response is as follows:

4.Using formaldehyde, hydrocyanic acid and ammonia as raw materials, aminoacetonitrile is first synthesized and then decomposed to generate glycine. Or it can be obtained by reacting ammonia water, ammonium bicarbonate and chloroacetic acid as raw materials through decolorization, crystallization, washing, recrystallization and drying.

5.Add 2.2L ammonia water to 2.1kg urotropine while stirring under cooling to fully dissolve it, and then Add dropwise 13.3kg of 75% chloroacetic acid solution and 20kg of 28% ammonia water. Control the reaction temperature to 50-60°C, the reaction solution pH = 7-8, incubate it at 72-78°C for 3 hours, suck off the supernatant, and dry the crystallized crude product, then refine and dry it with 75% ethanol, which is the finished product. . The process reaction formula is:

6. Tobacco: BU, 21; Synthesis: It can be made by the reaction of monochloroacetic acid and ammonium hydroxide, or it can be obtained by hydrolysis and refining of gelatin.

Purpose

(1) Food grade glycine: 1. Used as flavoring and sweetener, used in alcoholic beverages in combination with DL-alanine, citric acid, etc.; used as sour taste correction when synthesizing sake and refined feed. Agents and buffers; used as additives when pickling pickles, sweet sauce, soy sauce, vinegar and fruit juice to improve the flavor and taste of food, maintain the original taste, provide a source of sweetness, etc.; 2. Used as an additive for surimi products, peanut butter, etc. Preservative, it can inhibit the reproduction of Bacillus subtilis and Escherichia coli; 3. Utilize its own amino and carboxyl groups to buffer the taste of salt and vinegar; 4. Used as a food attractant (attractant) in feed additives; 5. Formulas for food brewing, meat processing and refreshing drinks, and debitter agent for sodium saccharin; 6. Used as a stabilizer for cream, cheese, margarine, instant noodles, wheat flour and lard; 7. Used as a stabilizer in food processing Vitamin C for stabilization; 8. 10% of MSG is glycine; 9. It can be used as a preservative and plays an important preservative role.

(2) Pharmaceutical grade glycine: 1. Used as a drug for medical microbiology and biochemical amino acid metabolism research; 2. Used as a chlortetracycline buffer and anti-Patient’s disease drug L-dopavitamin Raw materials for the synthesis of amino acids such as B6 and threonine; 3. Used as ammoniaAcid nutritional infusion; 4. Used as raw materials for cephalosporins; intermediates for thiamphenicol; intermediates for the synthesis of imidazole acetic acid, etc.; 5. Used as raw materials for cosmetics.

(3) Feed grade glycine: It is mainly used as an additive and attractant to increase amino acids in feeds for poultry, livestock and poultry, especially pets. Used as a hydrolyzed protein additive and as a synergist for hydrolyzed protein.

(4) Industrial grade glycine: used as a pesticide intermediate, such as the main raw material of the herbicide glyphosate; electroplating solution additive; PH regulator.

(5)Nutritional additives. Mainly used in feed for poultry, livestock and poultry.

(6) Used in pharmaceuticals, organic synthesis, and as biochemical reagents.

(7)It is used as a food additive to stabilize vitamin C in the processing of meat products, refreshing drinks, etc. Use alone or in combination with sodium glutamate, alanine, citric acid, etc. Also used as ph regulator. In medicine, it is used as a synthetic raw material for amino acid preparations (infusion), the anti-Parkinson’s disease drug L-Dopa (L-Dopa), etc. Used as auxiliary additive in cosmetics.

（8）Glycine is used in electroless nickel plating solutions or as electroplating additives.

4-Chloro-3-nitrobenzenesulfonyl chloride

Structural formula

Business number	02BU
Molecular formula	C6H3Cl2NO4S
Molecular weight	256.06
label	None

Numbering system

CAS number:97-08-5

MDL number:MFCD00007440

EINECS number:202-558-2

RTECS number:None

BRN number:1978600

PubChem number:24892822

Physical property data

1. Properties: brown or white powder.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 59-60

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

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20.2ºC): 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) distribution coefficient:

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

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

19. Solubility: Undetermined

Toxicological data

None

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 51.26

2. Molar volume (cm³/mol): 149.8

3. Isotonic specific volume (90.2K ): 416.3

4. Surface tension (dyne/cm): 59.5

5. Polarizability (10-24cm3): 20.32

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 77.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 320

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Avoid contact with oxides, alkalis, and water.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire, heat sources and oxidants. The packaging is sealed. They should be stored separately from oxidants and alkalis, and avoid mixed storage. 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

None