PU Technology – Page 56

Diethylaluminum chloride

Structural formula

Business number	02AE
Molecular formula	C4H10AlCl
Molecular weight	120.56
label	Diethyl aluminum monochloride, diethyl aluminum chloride, Diethylaluminum chloride, Chloro diethyl aluminum, aluminum diethyl monochloride, (C2H5)2AlCl, polymerization catalyst

Numbering system

CAS number:96-10-6

MDL number:MFCD00000459

EINECS number:202-477-2

RTECS number:BD0558000

BRN number:4123259

PubChem number:24855548

Physical property data

1. Properties: Colorless and transparent liquid.

2. Density (g/mL, 20℃): 0.96

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

4. Melting point (ºC): -50

5. Boiling point (ºC, normal pressure): 208

6. Boiling point (ºC, 43mmHg): 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 (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. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in xylene and gasoline. Soluble in gasoline and aromatic hydrocarbons.

Toxicological data

1. Acute toxicity: Rat inhalation LC50: 11mg/m³;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 43.73

2. Molar volume (cm³/mol): 134.4

3. Isotonic specific volume (90.2K ): 345.0

4. Surface tension (dyne/cm): 43.3

5. Polarizability (10-24cm3): 17.33

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Tautomers.Mass:

6. Topological molecular polar surface area (TPSA): 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 26.7

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 0

13. The number of determined chemical bond stereocenters: 0

14. The number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with humid air. Avoid contact with alcohols, oxygen, oxidants, acids, alkalis, and water. It is easy to spontaneously ignite when exposed to air and explode when exposed to water.

2. Wash with plenty of water after contact with human body. During the production process, strict protective measures should be taken, production equipment should be sealed to prevent leakage, and operators should wear protective equipment.
　

Storage method

1. Store in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. Keep container tightly sealed. They should be stored separately from oxidants, acids, alkalis, alcohols, and food chemicals, and avoid mixed storage. It should not be stored in large quantities or for long periods of time. 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. Should be stored under dry nitrogen.

2. This product is prone to violent combustion when exposed to air and reacts violently when exposed to water. Flammable and explosive, must not come into contact with air and water. Packed in steel cylinders, protected by nitrogen. Or dilute it to less than 20%, put it in barrels and protect it with nitrogen seal to prevent leakage. It is safer to use hexane or gasoline to make a 15% to 20% solution.

Synthesis method

1. Aluminum iodine method (sesquimethod) The reaction between ethyl chloride dried by aluminum oxide and aluminum powder in the presence of activator iodine and sesquiethylaluminum chloride produces sesquiethylaluminum chloride. (referred to as sesqui-particle), and then reacted with metallic sodium or sodium chloride to obtain diethyl aluminum chloride.

2. Aluminum-magnesium alloy method: Refined ethyl chloride reacts with aluminum-magnesium alloy that has been ball milled and activated by diethyl aluminum chloride, and the finished product is obtained after evaporation.

3. Direct method: Add triethylaluminum and hydrogen to activated aluminum to react to form diethyl aluminum hydride, and then react with ethylene to form triethylaluminum. Triethylaluminum reacts with aluminum trichloride to form diethylaluminum chloride. Raw material consumption (kg/t), aluminum iodine method aluminum powder ≥99.5% 400ethyl chloride ≥99% 1460iodine ≥99.5% 8 metallic sodium ≥99.5% 134.5

Purpose

Catalyst for polyolefin industry, intermediate for manufacturing organic compounds.

This product is mainly used as a polymerization catalyst for polyolefin, butyl rubber and ethylene-propylene rubber and as an intermediate for the synthesis of organometallic compounds and contraceptive pills.

β-biphosphopyridine nucleotide

Structural formula

Business number	0162
Molecular formula	C21H27N7O14P2
Molecular weight	663.43
label	nicotinamide adenine dinucleotide, nicotinamide adenine dinucleotide, Coenzyme I

Numbering system

CAS number:53-84-9

MDL number:MFCD00036253

EINECS number:200-184-4

RTECS number:UU3450000

BRN number:3584133

PubChem number:24897862

Physical property data

1. Character:White powder. Very hygroscopic.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 266

5. Boiling point (ºC,Normal pressure):524

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

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º):[α]_D²³－34.8°（C=1, water)

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. 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:Soluble in water, insoluble in acetone and other organic solvents.

Toxicological data

1, acute toxicity: mouse abdominal cavity LD50: 4333 mg/kg
2, mutagenicity: mutationmicroorganismsTESTSystem: Bacteria–Salmonella typhimurium: 100ug/plate

Ecological data

None

Molecular structure data

None

Compute chemical data

1, Reference value for hydrophobic parameter calculation (XlogP): -6

2. Number of hydrogen bond donors: 7

3. Number of hydrogen bond acceptors: 18

4. Number of rotatable chemical bonds: 11

5. Number of tautomers: 6

6. Topological molecular polar surface area (TPSA):321

7. Number of heavy atoms: 44

8. Surface charge: 0

9. Complexity: 1120

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 8

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

at260 It has the maximum ultraviolet absorption spectrum at nanometers. Through various deaminase enzymes, it accepts a hydrogen atom and an electron from the substrate and becomes a reduced form. E′0=-0.32V. At this time, the pyridine ring is reduced, and since there is maximum absorption at 340 nanometers, the progress of the reaction can be measured. This reaction can also proceed reversibly. ThereforeNAD+ can be used as a common substrate for various deaminase, but it acts between two dehydrogenases. Its presence in trace amounts can catalyze the redox reaction (electron transfer) between the two substrates.

Storage method

This product should be sealed in4Preserve dry.

Synthesis method

None

Purpose

Biochemical research. Medical research, clinical diagnosis. Organic Synthesis. Participates in energy metabolism and material metabolism in the body, which is beneficial to cell repair and renewal. Used for the treatment of coronary heart disease, myocarditis, and leukopenia.

Dibenzo[a,h]anthracene

Structural formula

Business number	0161
Molecular formula	C22H14
Molecular weight	278.35
label	dibenzotriphenyl, 1,2:5,6-Dibenzanthracene, 1,2:5,6-Dibenzanthracene, Aromatic hydrocarbons

Numbering system

CAS number:53-70-3

MDL number:MFCD00003708

EINECS number:200-181-8

RTECS number:HN2625000

BRN number:1912416

PubChem ID:None

Physical property data

1. Properties: Flake and leaf-shaped crystals are obtained from acetic acid. The crystals are monoclinic or orthorhombic. sublimation.

2. Density (g/mL, 25/4℃): 1.232

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

4. Melting point (ºC): 266~267

5. Boiling point (ºC, normal pressure): 524

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): [α] _D¹⁸+10.9° (C=0.4, in ethanol)

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

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

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

19. Solubility: Soluble in petroleum ether, acetone, acetic acid, benzene, toluene, xylene and oils, slightly soluble in ethanol and ether, insoluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 97.62

2. Molar volume (cm³/mol): 225.8

3. Isotonic specific volume (90.2K ): 622.6

4. Surface tension (dyne/cm): 57.7

5. Dielectric constant (F/m): 3.36

6. Extreme Chemical rate (10-24cm³): 38.70

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: 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: 22

8. Surface charge: 0

9. Complexity: 361

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic 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. Exist in mainstream smoke.

2. IARC carcinogenicity assessment: sufficient evidence.

Storage method

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

Synthesis method

It is prepared using methyldinaphthyl ketone as raw material.

Purpose

For biochemical research. Carcinogens.

1,2-Epoxyphenylethane

Structural formula

Business number	02AD
Molecular formula	C8H8O
Molecular weight	120.15
label	Epoxyphenylene oxide, styrene epoxide, α,β-epoxystyrene, Styrene-7,8-oxide, Phenyloxirane, α,β-Epoxystyrene, 1,2-Epoxystyrene, Epoxy resin thinner, Ether and acetal solvents

Numbering system

CAS number:96-09-3

MDL number:MFCD00005121

EINECS number:202-476-7

RTECS number:CZ9625000

BRN number:108582

PubChem number:24899628

Physical property data

1. Properties: colorless to light yellow liquid with aromatic smell.

2. Relative density (g/mL, 25/4℃): 1.0469

3. Relative vapor density (g/mL, air=1): 4.14

4. Melting point (ºC): -37

5. Boiling point (ºC, 101.3kPa): 194

6. Boiling point (ºC, 3.33kPa): 91

7. Refractive index (20ºC): 1.535

8. Flash point (ºC): 79

9. Specific rotation (º): Undetermined

7. p>

10. Autoignition point or ignition temperature (ºC): 497.8

11. Vapor pressure (mmHg, 20ºC): <1

12. Saturated vapor pressure ( kPa, 20ºC): 0.048

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 ): 22.0

18. Lower explosion limit (%, V/V): 1.1

19. Solubility: insoluble in water, miscible in methanol, ether, tetrachloride Carbon, benzene, acetone, chloroform.

Toxicological data

1. Acute toxicity: rat oral LD50: 2000mg/kg; rabbit transdermal LD50: 2830mg/kg

2. Can be absorbed into the body through inhalation, skin and ingestion. This substance irritates the eyes and skin, causes dizziness, drowsiness, confusion, vomiting, and causes skin allergies. This substance may be a human carcinogen under long-term or repeated exposure.

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: 35.27

2. Molar volume (cm³/mol): 108.4

3.� Isotonic specific volume (90.2K): 278.0

4. Surface tension (dyne/cm): 43.2

5. Dielectric constant:

6. Even Polar distance (10^-24cm³):

7. Polarizability: 13.98

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 1.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 12.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 94.7

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 Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with oxidants, acids, and alkalis. It is flammable and can form explosive mixtures with air.

2. Chemical properties: Under the action of acid, alkali or certain metal salts, the substance may polymerize when heated to 200°C.

3. For its toxicity and protection, please refer to ethylene oxide.

4. Exist in tobacco leaves and smoke.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container sealed and strictly prohibited from contact with air. They should be stored separately from oxidants, acids, and alkalis, 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.

Stored in a cool, dry, ventilated warehouse, away from fire and heat sources, moisture-proof, sun-proof, and sealed. Store and transport according to general chemical regulations.

Packed in 200kg galvanized iron drum

Synthesis method

1. Mix 42g peroxybenzoic acid, 30g styrene and 400ml chloroform, and keep at 0℃ for 24h. Take a sample to check and there should be a slight excess of peroxybenzoic acid. Wash the reaction product with excess 10% sodium hydroxide solution to remove benzoic acid. Then wash with water to remove alkali, dry over anhydrous sodium sulfate, collect the 188-192°C fraction by distillation, and obtain 24-26g of styrene oxide.

2. Epoxyphenylene oxide is obtained from styrene, sodium bromide, sulfuric acid and liquid caustic soda through halogenation reaction, saponification reaction and distillation.

Purpose

Used as pharmaceutical and spice intermediates. It is used as an intermediate in the production of benzene glycol and its derivatives, and also as a diluent in the epoxy resin industry.

dehydroepiandrosterone

Structural formula

Business number	0160
Molecular formula	C19H28O2
Molecular weight	288.42
label	dehydroepiandrosterone, Dehydroepiandrosterone, (3β)-3-Hydroxy-5-en-17-sterone, 3β-hydroxy-5-androsten-17-one, trans-dehydroepiandrosterone, Dehydroepiandrosterone, dehydroepiandrosterone, Androgen-5-en-3B-ol-17one, prasterone, trans-Dehydroandrosterone

Numbering system

CAS number:53-43-0

MDL number:MFCD00003613

EINECS number:200-175-5

RTECS number:BV8396000

BRN number:2058110

PubChem number:24278369

Physical property data

1. Character: White needles or sheets crystal-like.

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

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

4. Melting point (ºC): 140~141℃(needle-shaped),152～153(flake)

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]_D¹⁸+10.9°（ C=0.4, in ethanol)

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. 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:Soluble in benzene, ethanol and ether, slightly soluble in chloroform and petroleum ether. Can be precipitated by digitonin

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 83.11

2. Molar volume (m³/mol）：256.9

3. isotonic ratio(90.2K)：663.6

4. Surface Tension(dyne/cm)：44.4

5. Polarizability(10-24cm³)：32.94

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 508

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 6

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 yet

Storage method

Seal and store in a cool place away from light.

Synthesis method

3β-Hydroxy-5-Androsten -17- Ketone, also known as dehydroepiandrosterone, abbreviationDHAor DHEA. It has a weak androgenic effect and can be detected in urine, often excreted in the form of sulfate ester.

Purpose

DHEA（dehydrpepiandrosterone) is the precursor of androstenedione, testosterone and other male hormones, and can increase the levels of male hormones. DHEAIt is the most abundant hormone in the human body, thousands of times more than other hormones in the body. It is produced by the adrenal glands and is also known as“Anti-aging hormone” . Research shows:DHEACan regulate and promote other substances in the body18The secretion of steroid hormones in the body has the functions of promoting metabolism, maintaining normal functions of the human body, anti-aging and enhancing immunity, so it is also called“Youth Factor“. Clinical research,DHEACan improve immune function, resist degeneration and prevent infectious diseases, and can promote the immune systemtCell,bProduction of cells and macrophages, preventing bacterial and viral infections, inhibiting obesity and preventing cancer , lower cholesterol and blood lipids

1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane

Structural formula

Business number	02AC
Molecular formula	C10H16O2
Molecular weight	168.24
label	terpene dioxide, dipentene dioxide, 1,2:8,9-Diepoxylimonene, 1,2:8,9-Diepoxylimonene

Numbering system

CAS number:96-08-2

MDL number:None

EINECS number:202-475-1

RTECS number:None

BRN number:107989

PubChem ID:None

Physical property data

1. Properties: colorless liquid with a slight menthol-like odor.

2. Density (g/mL, 20℃): 1.03

3. Relative vapor density (g/mL, air=1): 7.40

4. Melting point (ºC): <60

5. Boiling point (ºC, normal pressure): 242

6. Boiling point (ºC, 43mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): 100.4

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, 20ºC) : 0.0027

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: Slightly soluble in water, soluble in methanol, benzene, carbon tetrachloride, etc.

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 10mg/24H, severity of reaction: moderate.

2. Acute toxicity: Rat oral LD50: 5630mg/kg; Rat inhalation LC50: 60mg/m³/1H; Rat intraperitoneal LD50: 400mg/ kg; mouse LD50 by intramuscular injection: 600mg/kg; rabbit skin contact LD50: 1770μL/kg;

3. Chronic toxicity/carcinogenicity

Mouse TDLo: 6700mg /kg;

Ecological data

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

Molecular structure data

1. Molar refractive index: 45.42

2. Molar volume (cm³/mol): 147.3

3. Isotonic specific volume (90.2K ): 390.5

4. Surface tension (dyne/cm): 49.3

5. Polarizability (10-24cm3): 18.00

Computational ChemistryData

1. Hydrophobic parameter calculation reference value (XlogP): 1.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 25.1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 228

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 4

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

1. Avoid contact with strong oxidants and acids.

2. Found in tobacco leaves.

3. It has carcinogenic activity.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants and acids, 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

Purpose

Used as epoxy resin diluent, intermediate for preparing alkyd resin, plasticizer, lubricant additive and chemical intermediate.

androstenedione

Structural formula

Business number	015Z
Molecular formula	C19H30O2
Molecular weight	290.44
label	Androsterone, androstenone, 3α-hydroxy-5α-androstane-17-one, 5α-androstane-3A-ol-17-one, androsterone, cis-ketolated sterols, cis-androgenone, cis-androsterone, androsterone, 3α-Hydroxy-5α-androstan-17-one, 5α-Androstan-3α-ol-17-one

Numbering system

CAS number:53-41-8

MDL number:MFCD00003618

EINECS number:200-173-4

RTECS number:BV8053000

BRN number:2217626

PubChem number:24869692

Physical property data

1. Character:White crystal or powder. Odorless. Sublime in a vacuum. Not precipitated by digitonin.

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

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

4. Melting point ( ºC): 185～185.5

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）： +94.6° (C＝0.7, in anhydrous ethanol),[α]_D¹⁵+87.8°（C＝1.5, in dioxane).

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) : 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 :Soluble in most organic solvents ,Insoluble in water.

Toxicological data

1, reproductive toxicity: male rats subcutaneously TDLo: 8400ug/kg, 21 days before mating; intramuscular TDLo in female rats: 80mg/kg, 13-20 days later to conceive

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 83.49

2. Molar volume (m³/mol）：267.6

3. isotonic ratio(90.2K)：677.7

4. Surface Tension(dyne/cm)：41.1

5. Polarizability(10-24cm³)：33.10

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 459

10. Number of isotope atoms: 0

11. Determine the atomsNumber of stereocenters: 7

12. Number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

None yet

Purpose

Biochemical research . Androgens and anabolic hormones.

Oxandrolone

Structural formula

Business number	015Y
Molecular formula	C19H30O3
Molecular weight	306.44
label	(4aS,4bS,6aS,7R,9aS,9bR,11aS)-7-hydroxy-4a,6a,7-trimethyl-tetradecahydroindeno[4,5-h]isochromene-2(1H) -ketone, (4aS,4bS,6aS,7R,9aS,9bR,11aS)-7-hydroxy-4a,6a,7-trimethyl-tetradecahydroindeno[4,5-h]isochromen-2(1H)-one

Numbering system

CAS number:53-39-4

MDL number:MFCD00198944

EINECS number:200-172-9

RTECS number:RN6800700

BRN number:None

PubChem ID:None

Physical property data

1. Character: White odorless crystalline powder

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC):235-238

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): 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): 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:Easily soluble in chloroform, slightly soluble in ethanol, acetone, slightly soluble in ether, and very slightly soluble in water.

Toxicological data

1, acute toxicity: Rat oral LD50: >10 mg/kg; rat intraperitoneal LD50 SPAN>: 4893 mg/kg; Rat subcutaneous LD50: >10 mg/kg ; Mouse oral LD50: 1832 mg/kg;
Mouse abdominal cavityLD50: 922 mg/kg; Mouse subcutaneous: >11 mg/kg; Rabbit Oral LD50: >5 mg/kg
2, reproductive toxicity: Oral administration to female rats TDLo: 1800mg/kg, 2-19 Pregnancy occurs after 3 days; subcutaneous TDLo in female rats: 70mg/kg, 14 Mate in advance;
Female RatTDLo：300mg/kg, 30 days before mating

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 85.10

2. Molar volume (m³/mol）：277.0

3. isotonic ratio(90.2K)：696.3

4. Surface Tension(dyne/cm)：39.8

5. Polarizability(10-24cm³)：33.73

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 503

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 7

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond stereocenter.�Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Seal and store in a cool place away from light.

Synthesis method

With5-Androster-1-ene–3-17-二Keto or17β-Hydroxy-17-α-Methyl derivatives are used as raw materials.

Purpose

is a male hormone whose main function is protein assimilation. Used to treat high cholesterol and triglycerides.

Allyl methacrylate

Structural formula

Business number	02AB
Molecular formula	C7H10O2
Molecular weight	126.15
label	Allyl methacrylate, Allyl methacrylate, Thacrylic acid allyl ester

Numbering system

CAS number:96-05-9

MDL number:MFCD00008592

EINECS number:202-473-0

RTECS number:UD3483000

BRN number:1747406

PubChem number:24882664

Physical property data

1. Properties: slightly yellow liquid.

2. Density (g/mL, 20℃): 0.938

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

4. Melting point (ºC): -65

5. Boiling point (ºC, normal pressure): 144

6. Boiling point (ºC, 43mmHg): 59-61

7. Refractive index (n²⁰): 1.436

8. Flash point (ºC): 37

9. Specific rotation ( º): Undetermined

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

11. Vapor pressure (mmHg, 20ºC): 4.6

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: Easily soluble in most organic matter Solvent, almost insoluble in water.

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 20mg/24H, severity of reaction: moderate.

Standard Draize test: Rabbit, eye contact: 500mg/24H, severity of reaction: mild.

2. Acute toxicity: Rat oral LD50: 70mg/kg; Rat inhalation LC50: 1800mg/m³; Mouse oral LD50: 57mg/kg; Mouse inhalation LC50: 5500mg/m³; rabbit skin contact LD50: 500μg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 35.54

2. Molar volume (cm³/mol): 137.5

3. Isotonic specific volume (90.2K ): 309.5

4. Surface tension (dyne/cm): 25.6

5. Polarizability (10-24cm3): 14.09

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: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 26.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 136

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. No Determine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with oxidants.

2. Flammable, harmful when taken orally or in contact with skin, and irritating to eyes, respiratory system and skin.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. 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

It can be obtained from the reaction of acrylamide and allyl alcohol under the action of concentrated acid and H₂O₂, or it can be obtained from allyl acetate and methyl methacrylate. Derived from transesterification. It can also be produced by reacting methacrylic acid with allyl alcohol, using p-toluenesulfonic acid as a catalyst and refluxing in the presence of the polymerization inhibitor hydroquinone. During the reaction, the generated water is continuously removed. After the reaction is completed, the excess is recovered by fractionation. Allyl alcohol, the product was purified by distillation under reduced pressure.

Purpose

1. Widely used as comonomer, grafting monomer and cross-linking agent for tooth repair in the preparation of organic glass.

O,P’-Didi Didi

Structural formula

Business number	015X
Molecular formula	C14H10Cl4
Molecular weight	320.04
label	1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene, O,P’-TDE, 1-Chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene, Organochlorine pesticides

Numbering system

CAS number:53-19-0

MDL number:MFCD00000850

EINECS number:200-166-6

RTECS number:KH7880000

BRN number:2056007

PubChem number:24855696

Physical property data

1. Character: Crystal.

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 76~78

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): 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. Oil and water (octanol/Water) distribution Log value of coefficient: Undetermined

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

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

19. Solubility: Solution In ethanol, isooctane, carbon tetrachloride.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 79.65

2. Molar volume (m³/mol):233.1

3. isotonic ratio(90.2K)：602.7

4. Surface Tension(dyne/cm)：44.6

5. Polarizability(10-24cm³)：31.57

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 6.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 248

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 yet

Storage method

Sealed and protected from light , Store in a dry place

Synthesis method

Generally produced from o-bromochlorobenzene.

Purpose

It is used to treat adrenocortical cancer and its migratory cancer, and can also be used to treat increased cortisol caused by adrenal hyperplasia or tumors. Symptom.

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