May 2024 – Page 14 – Pu catalyst

Tetraethylamine chloride

Structural formula

Business number	017F
Molecular formula	[N(C2H5)4]Cl
Molecular weight	165.7
label	Tetraethylammonium chloride, TEA chloride, Reagents for genetic engineering research, catalyst

Numbering system

CAS number:56-34-8

MDL number:MFCD00011828

EINECS number:200-267-5

RTECS number:24277874

BRN number:3563247

PubChem number:24277874

Physical property data

1. Properties: Hygroscopic crystals, easy to form tetrahydrate.

2. Density (g/mL, 25/4℃): 1.08

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

4. Melting point (ºC): 37.5

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. 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: Easily soluble in water, ethanol, chloroform and acetone, Slightly soluble in benzene. The pH of a 10% aqueous solution is 6.48, and the pH remains unchanged when heated to 95°C for 28 hours.

Toxicological data

1. Acute toxicity: human intravenous TDLo: 5mg/kg; rat oral LD50: 2630mg/kg; rat subcutaneous LD50: 200mg/kg; rat intravenous LD50: 56mg/kg; rat intramuscular LDLo: 110mg/kg ; Mouse oral LD50: 833mg/kg; Mouse abdominal LD50: 65mg/kg; Mouse subcutaneous LDLo: 120mg/kg; Mouse intravenous LD50: 37mg/kg; Dog intravenous LD50: 36mg/kg; Dog intramuscular LD50 : 58mg/kg; frog subcutaneous LDLo: 3488mg/kg2, other multiple dose toxicity: dog intramuscular TDLo: 1275mg/kg/22D-I

Ecological data

None

Molecular structure data

None

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: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers:None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 47.5

10. Number of isotope atoms: 0

11. Determined number of 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: 2

Properties and stability

Easily soluble in water, ethanol, chloroform and acetone, slightly soluble in benzene.

Storage method

This product should be sealed and stored in a dry and dark place.

Synthesis method

Neutralize 10% tetraethylammonium hydroxide aqueous solution with hydrochloric acid to obtain a tetraethylammonium chloride solution. The aqueous solution is evaporated to dryness, and the residue is recrystallized in an acetonitrile-acetone mixed solvent to obtain tetraethylammonium chloride. The product is vacuum dried in the presence of phosphorus pentoxide.

Purpose

Phase transfer catalysts for polymerization reactions. Membranes carry electrolytes for research. Test for antimony and bismuth, and determine gold. Polarographic analysis.

L-arginine

Structural formula

Business number	01HJ
Molecular formula	C6H14N4O2
Molecular weight	174.20
label	2-amino-5-argininoic acid, L-protein amino acids, guanidinepentine, arginine, L-2-amino-arginine acid, L-guanidinine, (S)-2-Amino-5-guanidinopentanoic acid, L-Arginine base, L-2-Amino-5-guanidinopentanoic acid, 2-Amino-5-guanidinopentanoic acid, nutritional supplements, flavor enhancers, intermediates, Biochemical reagents

Numbering system

CAS number:74-79-3

MDL number:MFCD00002635

EINECS number:200-811-1

RTECS number:CF1934200

BRN number:1725413

PubChem number:24901894

Physical property data

1. Properties: White to slightly yellow crystals or crystalline powder, with special sweet, bitter taste and unique flavor 2. Density (g/mL, 25/4℃): 1.46

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

4. Melting point (ºC): 244(dec.)(lit.)

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

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

7. Refractive index: 27 ° (C=8, 6mol/L HCl)

8. Flash point (ºC): Uncertain

9. Specific rotation (º): 27.1 º (c=8, 6N HCl)

10. Autoignition point or ignition Temperature (ºC): Uncertain

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain Determine

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

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

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

19. Solubility: Easily soluble in water (0℃, 83g/L, 20℃, 148.7g/L, 50 ℃, 400g/L), very slightly soluble in ethanol, insoluble in ether

Toxicological data

Mutagenicity: Grasshopper ParentalTEST SYSTEM: 100 mmol/L; human lymphocyteSister chromatid exchange test system: 10 mg/L;

Ecological data

None

Molecular structure data

1. Molar refractive index: 40.69

2. Molar volume (cm³/mol): 118.7

3. Isotonic specific volume (90.2K ): 338.5

4. Surface tension (dyne/cm): 66.1

5. Polarizability (10^-24cm³): 16.13

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -4.2

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 128

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 176

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 1

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond establishment Number of stereocenters: 0

14, Number of uncertain chemical bond stereocenters: 0

15, Number of covalent bond units: 1

Properties and stability

1. In the body, it is an intermediate metabolite of ornithine cycle, which can promote the production and excretion of urea, correct ammonia poisoning and relieve hepatic coma. Arginine is also the main component of sperm protein, which can promote sperm production and increase sperm movement energy.

2. Found in tobacco leaves.

3. It is an important component of sperm protein. It crystallizes from water and is dihydrate, which loses water of crystallization at 105ºC. Crystallized stone anhydrate from ethanol.

Storage method

Sealed packaging in brown glass bottles. Store in a dry place protected from light below 4℃.

Synthesis method

1. The industrial production of lysine is mainly based on direct fermentation method, followed by enzymatic method. The direct fermentation method uses mutant strains of microorganisms to ferment starch hydrolyzed sugar, molasses, acetic acid, ethanol, etc. as raw materials to produce L-lysine.

After the fermentation medium is disinfected, the pre-cultured seeds are added, and after culturing at 30°C for about 70 hours, fermentation is carried out, and then the fermentation liquid is heated to 80°C. After 10 minutes, it is cooled and filtered. Use hydrochloric acid to adjust the pH value of the clear liquid to 40, and pass it through the 732 column (first processed into -NH+4 type) at a flow rate of 75 to 80ml/min until the pH value of the effluent reaches 70. Stop adsorption, rinse with distilled water until colorless, then elute with 2mol/L ammonia water, concentrate the eluate to about 12°Bé, then use hydrochloric acid to adjust the pH value to 49, add activated carbon for decolorization, filter while hot, and then Concentrate under reduced pressure, cool and crystallize, and filter. The resulting crystals are lysine hydrochloride. Re-crystallization can obtain refined lysine.

Fermentation of molasses and corn steep liquor ↓Ion exchange of slant strain isolates

Concentration and decolorization→crystallization→recrystallization→drying→product

2.Extraction method

3. Tobacco: BU, 22; Synthesis: It can be obtained by hydrolysis and refining of gelatin. It can also be synthesized chemically.

Purpose

1. The most important use of lysine is as a feed additive, accounting for 95% of annual production. About 3% is used in the food industry as a nutritional supplement to fortify lysine in food. 2% is used in the pharmaceutical industry.

2.Amino acid drugs. It is used for patients with various types of hepatic coma who are contraindicated in taking sodium glutamate and those with viral hepatic alanine aminotransferase abnormalities.

3-amino-4-hydroxy-5-nitrobenzenesulfonic acid

Structural formula

Business number	02BM
Molecular formula	C6H6N2O6S
Molecular weight	234.19
label	6-nitro-2-aminophenol-4-sulfonic acid, 6-Nitro-2-aminophenol-4-sulfonic acid, H2NC6H2(OH)(NO2)SO3H

Numbering system

CAS number:96-93-5

MDL number:MFCD00035910

EINECS number:202-546-7

RTECS number:DB4900000

BRN number:None

PubChem number:24873806

Physical property data

1. Properties: Yellow crystalline powder.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 325

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: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, mild reaction; Standard Dresser test: rabbit eye contact, 20mg/24HREACTION SEVERITY, moderate reaction;

Ecological data

None

Molecular structure data

1. Molar refractive index: 48.28

2. Molar volume (cm³/mol): 124.7

3. Isotonic specific volume (90.2K ): 400.5

4. Surface tension (dyne/cm): 106.1

5. Polarizability (10-24cm3): 19.14

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: 7

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 7

6. Topological molecule polar surface area 155

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 344

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 stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Covalent bonds Number of units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Used as dye intermediates.

Picric acid

Structural formula

Business number	02BL
Molecular formula	C6H5N3O5
Molecular weight	199.12
label	2-Amino-4,6-dinitrophenol, 2-Amino-4,6-dinitrophenol

Numbering system

CAS number:96-91-3

MDL number:MFCD00070534

EINECS number:202-544-6

RTECS number:SJ5800000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: The pure product is red monoclinic crystal

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 169

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): 210

9. Specific rotation (º): Undetermined

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

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: Soluble in water, ethanol and benzene. Slightly soluble in chloroform and ether.

Toxicological data

1. Acute toxicity: rat subcutaneous LDL0: 2100mg/kg; dog intravenous LDL0: 150mg/kg; pigeon peritoneal cavity LDL0: 140mg/kg; pigeon muscle LDL0: 100mg/kg; 2. Mutagenicity: mutant microorganism test: Bacteria – Salmonella typhimurium, 5 μmol/plate;

Ecological data

This substance is harmful to the environment. Do not let this substance enter the environment. Special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 45.46

2. Molar volume (cm³/mol): 113.8

3. Isotonic specific volume (90.2K ): 359.0

4. Surface tension (dyne/cm): 99.0

5. Polarizability (10-24cm3): 18.02

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: 6

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 7

6. Topological molecule polar surface area 138

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 247

10. Number of isotope atoms: 0

11. Determine atomsNumber of stereocenters: 0

12. Uncertain number of stereocenters of atoms: 0

13. Determined 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

Avoid contact with oxides.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants 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. Suitable materials should be available in the storage area to contain spills.

Synthesis method

It is prepared by partial reduction of 2,4,6-trinitrophenol with sodium hydrosulfide or electrolytic reduction in an alcoholic sulfuric acid solution of vanadium sulfate.

Purpose

Used in the manufacture of azo dyes, analytical reagents, indicators, etc.

p-Nitrophenylazoresorcinol

Structural formula

Business number	01HH
Molecular formula	C12H9N3O4
Molecular weight	259.22
label	Try Magnesium Spirit, azo violet, Oxygen violet, 2,4-dihydroxy-4′-nitroazobenzene, 4-(4-Nitrophenylazo)resorcinol, p-nitroazobenzeneresorcinol, 4-(p-Nitrophenylazo)resorcinol, 4-(4-Nitrophenylazo)resorcinol, p-Nitroazobenzene-2,4-diol, 4-(4′-Nitrophenylazo)resorcinol, 2,4-Dihydroxy-4′-nitroazobenzene, O2NC6H4N=NC6H3-1,3-(OH)2

Numbering system

CAS number:74-39-5

MDL number:MFCD00007310

EINECS number:200-808-5

RTECS number:VH2810000

BRN number:674709

PubChem number:24847188

Physical property data

1. Properties: reddish-brown powder

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 195-200 (dec.)(lit.)

5. Boiling point (ºC, normal pressure): No Confirm

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain Determine

9. Specific rotation (º): Uncertain

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

11. Vapor Pressure (kPa, 25 ºC): Uncertain

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Oil and water (octanol/water) Log value of distribution coefficient: Uncertain

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

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

19. Solubility: Soluble in dilute alkali, it turns red-purple, slightly soluble in boiling fermentation, acetone, acetic acid and toluene, all turn yellow, insoluble in water

Toxicological data

Acute toxicity: rat oral LD50: >500 mg/kg;

Ecological data

Generally speaking, it is not harmful to water bodies

Do not use it without government permission.Discharge material into surrounding environment.

Molecular structure data

1. Molar refractive index: 66.22

2. Molar volume (cm³/mol): 178.1

3. Isotonic specific volume (90.2K ): 504.3

4. Surface tension (dyne/cm): 64.2

5. Polarizability (10^-24cm³): 26.25

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 12

6. Topological molecular polar surface area (TPSA): 105

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 468

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond configuration Number of centers: 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 kept sealed.

Synthesis method

Dissolve 138g of p-nitroaniline in 250ml of hot concentrated hydrochloric acid, cool to 0-5°C, and add dropwise a saturated aqueous solution containing 85g of nitrous acid while stirring, with the temperature not exceeding 5°C. Then 100g of resorcinol and dilute alkali solution were added to this diazonium salt solution. The coupling product is filtered, dried, and recrystallized with alcohol to obtain p-nitrophenylazoresorcinol.

Purpose

Reagent for measuring magnesium, adsorption indicator

Iopanoic acid

Structural formula

Business number	02BK
Molecular formula	C11H12I3NO2
Molecular weight	570.93
label	2-ethyl-3-(3-amino-2,4,6-triiodobenzene)propionic acid, 3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid, 2-(3-Amino-2,4,6-triiodobenzyl)butyric Acid, 3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropionic Acid

Numbering system

CAS number:96-83-3

MDL number:MFCD00038687

EINECS number:202-539-9

RTECS number:MW5075000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: White or milky white powder, almost odorless, with a slight special odor.

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 153

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, 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) distribution coefficient: Undetermined

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

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

19. Solubility: Soluble in sodium hydroxide or sodium carbonate solution, 95% ethanol , chloroform or ether, insoluble in water.

Toxicological data

1. Acute toxicity: Male oral TDLo: 86mg/kg/1W-I; Female oral TDLo: 60mg/kg; Rat oral LD50: 1540mg/kg; Rat peritoneal cavity LD50: 1520mg/kg; Rat intravenous Injection LD50: 280mg/kg; mouse oral LD50: 6600mg/kg; mouse peritoneal cavity LD50: 1230mg/kg; mouse intravenous injection LD50: 320mg/kg; 2. Reproductive toxicity: rats 1-22 days after conception Oral TDLo: 2200mg/kgSEX/DURATION;

Ecological data

None

Molecular structure data

1. Molar refractive index: 94.18

2. Molar volume (cm³/mol): 235.2

3. Isotonic specific volume (90.2K ): 675.0

4. Surface tension (dyne/cm): 67.7

5. Polarizability (10-24cm3): 37.33

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.9

2. Number of hydrogen bond donors: 2

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 63.3

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 277

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

None

Storage method

None

Synthesis method

It is obtained by condensation, reduction, acidification and iodination of m-nitrobenzaldehyde (see C7H5NO3, [99-61-6]). 1. Condensation Add n-butyric anhydride and dry sodium n-butyrate into a dry reaction pot, stir and heat to remove moisture. Add m-nitrobenzaldehyde and react at 135-140°C for about 7 hours. Cool and place in ice water to precipitate a dark brown precipitate. Filter and wash away the coke oil to obtain the crude condensate. Dissolve it in dilute ammonia water, heat and decolorize the white clay with activated carbon under stirring, filter the filtrate and crystallize it with dilute sulfate. Filter, wash the filter cake with water, and dry to obtain m-nitro-α-ethylcinnamic acid (C11H11NO4), which is a light yellow crystal with a melting point of 141-143°C and a yield of more than 70%. 2. Recovery and acidification. Dissolve m-nitro-α-ethylcinnamic acid in sodium hydroxide solution, heat to 75°C, gradually add aluminum-nickel alloy and aluminum powder while stirring, and control the temperature at 80-84°C. After the addition is completed, continue the insulation reaction for 0.5h. After reaching the end point, filter. The filtrate is acidified with hydrochloric acid to precipitate precipitate and filtered. The filter cake is m-amino-α-ethylphenylpropionic acid hydrochloride (C11H15NO2·HCL). 3. Iodination: Add dichloroethane to the aqueous solution of m-amino-α-ethylphenylpropionic acid, and add iodic acid monochloride solution under stirring to react. The crude product obtained is refined with dichloroethane to obtain iopanoic acid.

Purpose

This product is a diagnostic drug.

1,3-diphenyl-1,1,3,3-tetramethyldisiloxane

Structural formula

Business number	017E
Molecular formula	C16H22OSi2
Molecular weight	286.52
label	1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane

Numbering system

CAS number:56-33-7

MDL number:None

EINECS number:200-265-4

RTECS number:JM9236000

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

1, reproductive toxicity: oral administration to male rats TDLo: 700mg/kg7days before mating;

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 89.23

2. Molar volume (m³/mol):293.3

3. isotonic specific volume (90.2K):678.1

4. Surface Tension (dyne/cm):28.5

5. Polarizability（10^-24cm³): 35.37

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: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 9.2

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 249

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

None

Storage method

None

Synthesis method

None

Purpose

None

lactobionic acid

Structural formula

Business number	02BJ
Molecular formula	C12H22O12
Molecular weight	358.3
label	Nicergoline chart, 4-O-beta-d-galactopyranosyl-d-gluconic acid

Numbering system

CAS number:96-82-2

MDL number:MFCD00078147

EINECS number:202-538-3

RTECS number:None

BRN number:95054

PubChem number:24896313

Physical property data

1. Characteristics: White to off-white crystalline powder

2. Density (g/mL,20℃): Undetermined

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

4. Melting point (ºC):113- 118

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

6. Boiling point (ºC, KPa): Undetermined

7. Refractive index:26

8. Flashpoint (ºC): Undetermined

9. Bixuan�Degree (º): 22.8

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

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

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

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

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):-5

2. Number of hydrogen bond donors: 9

3. Number of hydrogen bond acceptors: 12

4. Number of rotatable chemical bonds: 8

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA):218

7. Number of heavy atoms: 24

8. Surface charge: 0

9. Complexity: 406

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 9

12. 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

None

Purpose

None

cantharidin

Structural formula

Business number	017D
Molecular formula	C10H12O4
Molecular weight	196.4
label	Hexahydro-3α,7α-dimethyl-4,7-oxyisobenzofuran-1,3-dione, Cantharidin, Hexahydro-3α,7α-dimethyl-4,7-epoxyisobenzofuran-1,3-dione, Inhibits protein and nucleic acid synthesis in cancer cells

Numbering system

CAS number:56-25-7

MDL number:MFCD00134968

EINECS number:200-263-3

RTECS number:RN8575000

BRN number:None

PubChem number:24278334

Physical property data

1. Properties: This product is white crystal

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

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

4. Melting point (ºC): 216～218℃

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. 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 Determined

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

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

19. Solubility: Insoluble in cold water, soluble in hot water, acetone, chloroform, ethyl acetate and oils, slightly soluble in ethanol.

Toxicological data

Ecological data

None

Molecular structure data

1. Molar refractive index: 45.68

2. Molar volume (cm³/mol): 144.0

3. Isotonic specific volume (90.2K ): 381.5

4. Surface tension (dyne/cm): 49.2

5. Polarizability (10^-24cm³)：18.11

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 0.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds�: 0

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 52.6

7. Number of heavy atoms : 14

8. Surface charge: 0

9. Complexity: 318

10. Number of isotope atoms: 0

11 , Determine the number of atomic stereocenters: 4

12. Determine the 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

None

Storage method

Sealed packaging in brown glass bottles. Store in cool and dark place.

Synthesis method

1. Cantharidin is a monoterpene substance extracted from the coleopteran insect Cantharidin of the genus Cantharidin. The content in adult insects is about 1%.

First, crush the cantharis into powder. Feed according to the ratio of cantharis coarse powder:concentrated hydrochloric acid:acetone=1:0.025:5.5. Take the dry coarse powder and add concentrated hydrochloric acid, then add 3 times the amount of acetone, soak and extract for 48 hours, then filter with double-layer gauze, collect the filtrate, and soak the residue in 2.5 times the amount of acetone for 48 hours, filter, collect the extracts, and combine the extractions liquid and discard the residue. The acetone in the extract is recovered to obtain a dark concentrated oil. A large number of crystals precipitate out of the oil. Filter and collect the crystals. The crystals are washed twice with petroleum ether to remove pigments and animal fats, then washed several times with 95% ethanol, and dried to obtain crude cantharidin. The crude product is recrystallized once with acetone to obtain cantharidin. Cantharidin is highly toxic, so precautions should be taken when preparing it. Green tea and coptis can detoxify it.

2. This product is a tincture made by drying the insect Cantharidin [Epicauta gorhami marseul (Meloidae)] and leaching it with ethanol. To prepare 1000ml of this product, first dry the cantharis, take 100g of the crushed coarse powder, add about 600ml of ethanol, stir occasionally to allow the soluble ingredients to fully dissolve, and filter with cloth. Then wash the residue with a small amount of ethanol and press dry. Combine the leachate and washing liquid, let it sit for 2 days and then filter. Add ethanol to the filtrate to make it 1000ml.

Purpose

1. Cantharidin can inhibit the protein and nucleic acid synthesis of cancer cells, thereby controlling their massive proliferation. It has certain efficacy in the treatment of primary liver cancer and is often used in conjunction with other anti-tumor drugs. In addition, it also has certain effects on breast cancer, esophageal cancer, leukopenia, lung cancer, chronic hepatitis and other diseases.

2.This product is only used in hair growth products. It is prohibited in other cosmetics. The maximum allowable content is 1%. External use to treat malignant sores, stubborn ringworm, psoriasis, and alopecia areata.

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N,N’-diphenyl-p-phenylenediamine

Structural formula

Business number	01HG
Molecular formula	C18H16N2
Molecular weight	260.33
label	Anti-aging agent PPD, diphenyltetraphenyldiamine, 1,4-Diphenylaminobenzene, Antioxidant PPD, 2-phenyl-4-phenyl-diamine, 1,4 – diphenyl benzene, Universal antioxidant

Numbering system

CAS number:74-31-7

MDL number:MFCD00003015

EINECS number:200-806-4

RTECS number:ST2275000

BRN number:2215944

PubChem number:24867020

Physical property data

1. Properties: gray powder or flakes. Is flammable. The color becomes darker in the air and under light

2. Density (g/mL, 25/4℃): 1.22～1.31

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

4. Melting point (ºC): 152

5. Boiling point ( ºC, normal pressure): 282

6. Boiling point (ºC, 0.5mmHg): 220-225

7. Refractive index: Uncertain

8. Flash point (ºC, 1mmHg): 220-225

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

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

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

18. The lower explosion limit (%, V/V): Uncertain

19. Solubility: Soluble in benzene and ethanol, insoluble in gasoline and water (<0.1 g/100 mL at 20 ºC)

Toxicological data

Acute toxicity: rat oral LD50: 2370 mg/kg; mouse oral LD50: 18 mg/kg; mouse intraperitoneal LD50: 300 mg/kg; tumorigenicity: mouse subcutaneous injection TDLo: 1000 mg/kg; breeding : Rat oral TDLo: 450 mg/kgSEX/DURATION: female 14 day(s) pre-mating female 1-22 day(s) after conception; Rat oral TDLo: 2500 mg/kgSEX/DURATION: female 1- 22 day(s) after conception; Mouse oral TDLo: 4176 mg/kgSEX/DURATION: female 6-14 day(s) after conception; Mutagenicity: SandMicrobial test system for Mammalian gene mutation: 10 ug/plate; Hamster lung cytogenetic analysis test system: 1800 ug/L; Hamster lung Mutation in mammalian somatic cellsTEST SYSTEM: 30 mg/L;

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 85.00

2. Molar volume (cm³/mol): 221.5

3. Isotonic specific volume (90.2K): 593.9

4. Surface tension (dyne/cm): 51.6

5. Polarizability (10^-24cm³): 33.69

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: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 231

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

None

Storage method

Stored in a cool, dry warehouse, protected from fire, moisture and sun.

Synthesis method

Hydroquinone and aniline react under the catalysis of triethyl phosphate for a certain period of time at 280~300℃ and a pressure of 0.7MPa. After the reaction, vacuum distillation was performed. Excess aniline is removed first under low vacuum, and then the intermediate is evaporated under higher vacuum. The remaining materials after steaming the intermediate are sliced, powdered, and packaged to become the finished product. The synthesis reaction is as follows

Purpose

is a general-purpose antioxidant. It has excellent resistance to flexural cracking and has excellent protection against heat, oxygen, ozone, and photoaging, especially copper and manganese damage. It is polluting and will discolor the rubber. It is not suitable for light-colored and bright-colored products. It is often used in the manufacture of various tires and dark-colored products. Because of its low solubility in rubber, it is easy to bloom. Mainly used as rubber antioxidant, suitable for natural rubber, styrene-butadiene rubber, and butadiene rubber. The reference dosage is 0.2 to 0.3 parts by mass.