1 – Page 20 – BDMAEE

1,1,3-Trichlorotrifluoroacetone 1,1,3-Trichlorotrifluoroacetone

Published by BDMAEE on 2024-01-15 | Permalink

Structural formula

Business number	01Q2
Molecular formula	C3Cl3F3O
Molecular weight	215.39
label	1,1,3-Trichloro-1,3,3-trifluoroacetone

Numbering system

CAS number:79-52-7

MDL number:None

EINECS number:None

RTECS number:UC3850000

BRN number:None

PubChem ID:None

Physical property data

None yet

Toxicological data

1, acute toxicity

Rat caliber LD50: 277mg/kg; Rat inhalation LC50: 450ppm/3H;

Mouse intravenous LD50: 180mg/kg;

Rabbit skin LD50: 770mg/kg;

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 30.94

2. Molar volume (m³/mol）：125.7

3. isotonic specific volume (90.2K):290.6

4. Surface Tension (dyne/cm):28.5

5. Polarizability（10^-24cm³):12.26

Compute chemical data

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

2. Number of hydrogen bond donors: 0

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 17.1

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 157

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

�� Surface charge: 0

9. Complexity: 157

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain chemical bond stereocenters Quantity: 0

15. Quantity of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

1,1,2,2-Tetrachloroethane 1,1,2,2-Tetrachloroethane

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	01PR
Molecular formula	C2H2Cl4
Molecular weight	167.85
label	Symmetric tetrachloroethane, Tetrachloroethane, Acetylene tetrachloride, sym-Tetra-chloroethane, CHCl2CHCl2, pesticides, herbicide, special purpose solvents

Numbering system

CAS number:79-34-5

MDL number:MFCD00000848

EINECS number:201-197-8

RTECS number:KI8575000

BRN number:969206

PubChem number:24888839

Physical property data

1. Properties: colorless liquid with chloroform-like odor. ^[1]

2. Melting point (℃): -43.8^[2]

3. Boiling point (℃): 146.4^[3]

4. Relative density (water = 1): 1.60^[4]

5. Relative vapor Density (air=1): 5.79^[5]

6. Saturated vapor pressure (kPa): 1.33 (32℃)^[6]

7. Critical temperature (℃): 388^[7]

8. Critical pressure (MPa): 3.99^[8]

9. Octanol/water partition coefficient: 2.39^[9]

10. Solubility: slightly soluble in water, soluble in acetone, mixed Soluble in ethanol, ether, benzene, carbon tetrachloride, chloroform, etc. ^[10]

11. Viscosity (mPa·s, 20ºC): 1.77

12. Specific heat (liquid) (KJ/(kg·K )): 1.122

13. Heat of evaporation (J/g, b.p.): 229.8

14. Heat of formation (KJ/mol, 25ºC, gas): 149.0

15. Heat of combustion (KJ/kg, 18.7ºC, constant volume): 5788.8

16. Conductivity (S/m, 25ºC): 4.5×10^-9

17. Thermal conductivity (W/(m·K)): 0.1364

18. Volume expansion coefficient (K^-1,0~ 30ºC, average): 0.00103

19. Lennard-Jones parameter (A): 19.819

20. Lennard-Jones parameter (K): 253.6

21 .Solubility parameter (J·cm^-3)^0.5: 20.485

22. van der Waals area (cm²·mol^-1): 8.420×10⁹

23. van der Waals volume (cm³·mol ^-1): 62.520

24. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -194.4

25. Liquid phase standard entropy (J·mol^-1·K^-1): 245.6

26. Liquid phase standard hot melt (J·mol^-1·K^-1): 165.4

27. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): -149.0

28. Gas phase standard entropy (J·mol^-1·K^-1): 355.08

29. Gas phase standard formation free energy (kJ·mol^-1): -79.4

30. Gas phase standard hot melt (J·mol^-1·K^-1)：98.99

Toxicological data

1. Acute toxicity^[11]

LD50: 200mg/kg (rat oral)

LC50 : 4500mg/m³ (mouse inhalation, 2h)

2. Irritation No data available

3. Subacute and chronic toxicity ^[12] Causes liver enlargement and tenderness, which may occur Steatosis, necrosis and cirrhosis of the liver, kidneys and myocardium can also be affected.

4. Mutagenicity ^[13] Microbial mutagenicity: Salmonella typhimurium 10μg/dish. Sex chromosome deletion and non-disjunction: Aspergillus nidulans 200ppm. DNA inhibition: human HeLa cells 6mmol/L. Sister chromatid exchange: hamster ovary 56mg/L.

5. Carcinogenicity ^[14] IARC Carcinogenicity Comment: G3, insufficient evidence of carcinogenicity to humans and animals.

Ecological data

1. Ecotoxicity^[15]

LC50: 9.23mg/L (48h) (Daphnia magna, static); 21.3mg/ L (96h) (bluegill, static); 20.3mg/L (96h) (fathead minnow, dynamic); 31mg/L (48h) (medaka); 9.02mg/L (96h) (sugar shrimp, Static); 136~146mg/L (96h) (green algae); 6.23~6.44mg/L (96h) (Skeletonema costatum)

2. Biodegradability^{[16 ]}

Aerobic biodegradation (h): 672~4320

Anaerobic biodegradation (h): 168~672

3. Non-biodegradability^[17]

Photooxidation half-life in air (h): 213~2131

First-order hydrolysis half-life (h): 1056

Molecular structure data

1. Molar refractive index: 30.62

2. Molar volume (cm³/mol): 107.8

3. Isotonic specific volume (90.2K ): 260.2

4. Surface tension (dyne/cm): 33.9

5. Polarizability (10^-24cm³)：12.14

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 26.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. It has the strongest solubility among chlorinated hydrocarbon solvents and can be completely miscible with various organic solvents such as methanol, ethanol, ether, petroleum ether, benzene, carbon tetrachloride, carbon disulfide, dimethylformamide, etc. dissolve. It can dissolve grease, wax, asphalt, coal tar, camphor, rubber, dyes, ethyl cellulose, nitrocellulose, polyvinyl chloride and other organic substances as well as sulfur, phosphorus, halogen, sodium sulfite and other inorganic substances. Especially regarding the solubility of sulfur, 100g of 1,1,2,2-tetrachloroethane can dissolve 100g of sulfur at 120°C. The solubility in water at 25°C is 0.29%; the solubility of water in 1,1,2,2-tetrachloroethane is 0.13%. Dry and pure 1,1,2,2-tetrachloroethane is not highly corrosive to metals, but decomposes in moist air to release highly corrosive hydrogen chloride.

2. In the absence of air, moisture and light, 1,1,2,2-tetrachloroethane is a stable substance, but when in contact with air, it slowly removes hydrogen chloride and generates trichlorethylene. and trace amounts of phosgene. It gradually decomposes in the presence of moisture to release hydrogen chloride. In the presence of air or oxygen, dichloroacetyl chloride is generated by ultraviolet light irradiation. 1,1,2,2-Tetrachloroethane is reduced to 1,2-dichloroethylene by treatment with iron, aluminum, zinc and other metals in the presence of boiling water or water vapor. It does not react with chlorine at room temperature. It is chlorinated under ultraviolet light to form hexachloroethane. 1,1,2,2-tetrachloroethane generates trichlorethylene when thermally cracked in the presence of catalysts such as activated carbon or reacting with milk of lime. Heating with strong alkali generates highly explosive dichloroacetylene.

Storage method

Storage Precautions^[18] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, active metal powders, and food chemicals, and avoid mixed storage. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Prepared by chlorination of acetylene. The reaction is carried out with tetrachloroethane itself as the solvent (direct reaction between gaseous acetylene and chlorine will explode), and the catalyst is antimony pentachloride or ferric chloride. When ferric chloride catalyst is used, the system is maintained at negative pressure, tetrachloroethane is constantly refluxing, dry acetylene and chlorine are continuously introduced, and the heat of reaction is absorbed and removed by the refluxing tetrachloroethane vapor, and the yield is 97% (for acetylene).

Purpose

1. Due to its high toxicity and strong solubility, in addition to being used as a solvent for special purposes, it is mainly used as a raw material for the manufacture of trichlorethylene and tetrachlorethylene. It is also used in the manufacture of pesticides, herbicides and photographic films.

2. Used as solvent for organic synthesis. ^[19]

1,1,2,2-Tetrabromoethane 1,1,2,2-Tetrabromoethane

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	01PL
Molecular formula	C2H2Br4
Molecular weight	345.65
label	Added flame retardants, catalyst, initiator, refrigerant, Extinguishing agent, fumigation disinfectant, reagents for microscopy, Flotation agent; aliphatic halogenated derivatives

Numbering system

CAS number:79-27-6

MDL number:MFCD00000133

EINECS number:201-191-5

RTECS number:KI8225000

BRN number:1098321

PubChem number:24888766

Physical property data

1. Properties: yellow liquid with camphor and chloroform odor. ^[1]

2. Melting point (℃): 0^[2]

3. Boiling point (℃): 243.5 ^[3]

4. Relative density (water = 1): 2.96^[4]

5. Relative density (Air=1): 11.9^[5]

6. Saturated vapor pressure (kPa): 2.00 (119℃)^[6]

7. Critical pressure (MPa): 4.6^[7]

8. Octanol/water partition coefficient: 2.55^[8]

9. Flash point (℃): 160^[9]

10. Ignition temperature (℃): 335^[10]

11. Solubility: Insoluble in water, soluble in most organic solvents such as ethanol and chloroform. ^[11]

12. Viscosity (mPa·s, 19.19ºC): 9.80

13. Heat of evaporation (KJ/kg): 133.97

14. Heat of fusion (KJ/kg): 33.78

15. Specific heat capacity (KJ/(kg·K), 16.1~99.02ºC, constant pressure): 0.513

Toxicological data

1. Acute toxicity^[12]

LD50: 1200mg/kg (rat oral); 5250mg/kg (rat oral) Skin)

LC50: 549mg/m³ (rat inhalation, 4h)

2. Irritation^[13]

Rabbit transdermal: 500mg (24h), moderate irritation.

Rabbit eye: 100mg, mild irritation.

3. Subacute and chronic toxicity ^[14] In the chronic toxicity test, the liver weight of various animals increased, and there were pathological changes in the liver and kidneys.

Ecological data

1. Ecotoxicity^[15] LC50: 19mg/L (48h) (medaka)

2. Biodegradation Performance ^[16] MITI-I test, initial concentration 100ppm, sludge concentration 30ppm, degradation 29% after 2 weeks.

3. Non-biodegradability No information available

Molecular structure data

1. Molar refractive index: 42.15

2. Molar volume (cm³/mol): 115.0

3. Isotonic specific volume (90.2K ): 315.0

4. Surface tension (dyne/cm): 56.2

5. Polarizability (10^-24cm³): 16.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 26.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

It can decompose when exposed to light and heat and turn yellow. Above 190°C, the decomposition product is highly toxic carbonyl bromide vapor. Reacts with strong base to release hydrogen bromide. It is stable at room temperature and will decompose when heated to 239~242°C to release bromine, hydrogen bromide, etc.

Storage method

Storage Precautions^[17] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep containers sealed and store them separately from oxidants, alkalis, and food chemicals. Avoid mixed storage. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

1. Obtained from the addition of acetylene and bromine. Add bromine into the glass-lined reaction pot and add a small amount of water to seal the bromine liquid level. Then slowly introduce acetylene gas from the bottom of the liquid and keep it at 58-62°C and 0.02-0.05MPa for aeration reaction for 5-7 hours. Stop the reaction when the reaction liquid gradually turns yellow. Wash the reaction solution with dilute sodium carbonate solution, then wash with water until neutral, separate the washing water, and obtain the finished product of tetrabromoethane. Raw material consumption quota: bromine 1110kg/t, calcium carbide 1940kg/t.

2. Directly pass the purified acetylene into the reactor that has been previously filled with bromine and water, control the pressure to 1.9613~4.9033KPa, and carry out the reaction at a reaction temperature of <50°C, and then use dilute alkali After washing with liquid, the upper layer of alkali liquid is removed, and then washed with water to obtain the finished product.

Purpose

1. This product is used as an intermediate for quaternary ammonium compounds, medicines, and dyes. It is used as an additive flame retardant. It is also used as an intermediate for the synthesis of quaternary ammonium compounds, medicines, and dyes. It is also used for the preparation of chemical fibers. Cocatalyst, initiator of polyester oxidation process, refrigerant, fire extinguishing agent and fumigation disinfectant, etc. Used as reagents for microscopy, flotation agents and solvents.

2. Used for mineral processing and as solvent. ^[18]

1,2-Dipalmitoyl-sn-glycero-3-phosphocholine

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	01CY
Molecular formula	C40H80NO8P
Molecular weight	734.05
label	Cofocilil palmitate, 1,2-Dihexadecanoyl-sn-glycero-3-phosphocholine, L-α-Phosphatidylcholine, dipalmitoyl, Other medicines

Numbering system

CAS number:63-89-8

MDL number:MFCD00036903

EINECS number:200-567-6

RTECS number:None

BRN number:None

PubChem number:24898128

Physical property data

1. Properties: Crystallized from hot diisobutyl ketone

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 229-229.5

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

p>

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

p>

9. Specific rotation (º): Uncertain

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

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

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

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

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

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

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

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

19. Solubility: Easily soluble in chloroform, hot diisobutyl ketone or hot dioxane. Easily emulsified in water. Solubility at 22-23°C (g/100ml): ethanol 1.5, ether 0.02, acetone 0.02, pyridine 1.1, acetic acid 4.0, methanol 1.4

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

None yet

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 13.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 40

5. Topological molecular polar surface area (TPSA): 111

6. Number of heavy atoms: 50

7. Surface charge: 0

8. Complexity: 826

9. Number of isotope atoms.�0

10. Determine the number of atomic stereocenters: 1

11. Uncertain number of atomic stereocenters: 0

12. Determine the chemical bond configuration Number of centers: 0

13. Number of uncertain chemical bond stereocenters: 0

14. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored dry at -18℃.

Synthesis method

Synthetic surfactant, composed of palm bile, cetyl alcohol and Tyloxapol )composition.

Purpose

Pulmonary surfactant, organic reagents, pharmaceutical intermediates;

1,2,3-Triphenylguanidine 1,2,3-Triphenylguanidine

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	02K0
Molecular formula	C19H17N3
Molecular weight	287.36
label	triphenylguanidine, N,N’,N”-triphenylguanidine, N,N’,N”-Triphenylguanidine, Triphenylguanidine

Numbering system

CAS number:101-01-9

MDL number:MFCD00020648

EINECS number:202-907-9

RTECS number:MF6825000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: white prismatic crystalline powder. Tasteless.

2. Density (g/mL, 25℃): 1.16

3. Relative vapor density (g/mL, air=1): 3.2

4. Melting point (ºC): 146-147

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

6. Boiling point (ºC, 4.0KPa): Undetermined

p>

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 ethanol and dilute acid, insoluble in water.

Toxicological data

Acute toxicity: Oral LDLo in rats: 250mg/kg; Intravenous LD50 in mice: 56mg/kg; Oral LDLo in mammals: 350mg/kg;

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 91.62

2. Molar volume (cm³/mol): 267.0

3. Isotonic specific volume (90.2K ): 682.8

4. Surface tension (dyne/cm): 42.7

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 36.32

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds�:5

5. Number of tautomers: None

6. Topological molecule polar surface area 36.4

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 313

10. Number of isotope atoms: 0

11. Determine the atoms Number 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 strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Packaging requires sealing. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Prepared by adding carbon dioxide to aniline and phosphorus trichloride.

Purpose

Fine chemical raw materials, pharmaceutical intermediates; rubber accelerators.

1,1,2-Trichloroethane 1,1,2-Trichloroethane

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	01P2
Molecular formula	C2H3Cl3
Molecular weight	133.40
label	β-Trichloroethane, Ethane trichloride, Ethylene trichloride, Vinyl trichloride, β-Trichloroethane, Aliphatic halogenated derivatives

Numbering system

CAS number:79-00-5

MDL number:MFCD00000852

EINECS number:201-166-9

RTECS number:KJ3150000

BRN number:1731726

PubChem number:24845354

Physical property data

1. Properties: colorless liquid with aromatic odor. ^[1]

2. Melting point (℃): -36.5^[2]

3. Boiling point (℃): 114^[3]

4. Relative density (water = 1): 1.44^[4]

5. Relative vapor Density (air=1): 4.55^[5]

6. Saturated vapor pressure (kPa): 2.5 (20℃)^[6]

7. Heat of combustion (kJ/mol): -1097.2^[7]

8. Critical pressure (MPa): 4.83^[8]

9. Octanol/water partition coefficient: 2.17^[9]

10. Ignition temperature (℃): 460^[10]

11. Explosion upper limit (%): 13.3^[11]

12. Explosion lower limit (%): 8.4 ^[12]

13. Solubility: Insoluble in water, miscible in alcohols, ethers, esters, ketones, etc. ^[13]

14. Viscosity (mPa·s, 15ºC): 1.20

15. Heat of evaporation (J/g, b.p.): 287.6

16. Heat of combustion (KJ/mol, gas): 1099.0

17. Specific heat capacity (KJ/(kg·K), 20ºC): 1.13

18 .Thermal conductivity (W/(m·K), 20ºC, liquid): 0.135

19. Volume expansion coefficient (K^-1, 0~25ºC, average): 0.0010

20. Relative density (25℃, 4℃): 1.4321

21. Refractive index at room temperature (n²⁵): 1.4689

22.Solubility parameter (J·cm^-3)^0.5：19.819

23.van der Waals area (cm²·mol^-1): 7.360×10⁹

24. van der Waals volume (cm³ sup>·mol^-1): 53.110

25. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -191.5

26. Liquid phase standard hot melt (J·mol^-1·K^-1): 151.5

27. Gas phase standard claims heat (enthalpy) (kJ·mol^-1): -145.6

28. Gas phase standard entropy (J·mol^-1· K^-1): 333.53

29. Gas phase standard free energy of formation (kJ·mol^-1): -83.2

30. Vapor phase standard hot melt (J·mol^-1·K^-1): 84.89

Toxicological data

1. Acute toxicity^[14]

LD50: 836mg/kg (rat oral); 3730mg/kg (rabbit dermal )

2. Irritation ^[15]

Rabbit transdermal: 500mg (24h), mild irritation.

Rabbit eye: 162mg, mild irritation.

3. Subacute and chronic toxicity^[16] Rats, guinea pigs and rabbits inhaled 0.82g/m³, 7 hours a day, 5 days a week, for 6 months, no abnormalities were found; inhaled 1.6g /m³, female rats had mild hepatic steatosis and cellular turbidity.

4. Mutagenicity ^[17] Micronucleus test: human lymphocytes 100 μmol/L. DNA damage: human lymphocytes 2500 μmol/L. Cytogenetic analysis: Guinea pig skin exposure 2880μg/kg

5. Carcinogenicity ^[18] IARC carcinogenicity review: G3, for humans and There is insufficient evidence of carcinogenicity in animals.

Ecological data

1. Ecotoxicity^[19]

LC50: 81.6mg/L (96h) (fathead minnow, dynamic); 133mg/ L (48h) (medaka)

IC50: 93~430mg/L (72h) (algae)

2. Biodegradability^[20]

Aerobic biodegradation (h): 4320~8760

Anaerobic biodegradation (h): 17280~35040

3. Non-biodegradability^[21]

Photooxidation half-life in air (h): 196~1956

一 Grade hydrolysis half-life (h): 3.26×10⁵

4. Other harmful effects^[22] This substance has May be hazardous to the environment and accumulate in groundwater.

Molecular structure data

1. Molar refractive index: 25.82

2. Molar volume (cm³/mol): 96.0

3. Isotonic specific volume (90.2K ): 224.4

4. Surface tension (dyne/cm): 29.7

5. Polarizability (10^-24cm³): 10.23

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 18.9

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. Miscible with general organic solvents such as ethanol, ether, and organic chlorides. Can dissolve grease, wax, natural resin, rubber, ethyl cellulose and vinyl resin, etc. The solubility in water at 20°C is 0.436%; the solubility of water in 1,1,2-trichloroethane is 0.05%. Dry 1,1,2-trichloroethane is not very corrosive to metals. Contact with moist air, especially under light, releases highly corrosive hydrogen chloride. Liquid 1,1,2-trichloroethane has a strong degreasing effect and should be avoided in contact with skin.

2. Stable properties under normal conditions. In the absence of air and water, no obvious decomposition will occur when heated to 110°C, but hydrolysis will occur when it comes into contact with water at its boiling point. Heated with sodium hydroxide solution or calcium hydroxide suspension, 1,1-dichloroethylene is generated, and dehydrochlorination reaction also occurs in high-temperature gas phase thermal cracking. In the presence of aluminum trichloride, it reacts with chlorine at 70~80°C to form 1,1,2,2-tetrachloroethane.

3. Stability^[23] Stable

4. Incompatible substances^[24] Strong alkali, strong oxidant, aluminum, magnesium

5. Conditions to avoid contact ^[25] Humid air, Light

6. Polymerization hazard^[26] No polymerization

7. Decomposition products^{[27 ]} Hydrogen chloride

Storage method

Storage Precautions^[28] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, 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

1. Vinyl chloride chlorination method: Put trichloroethane into the reaction kettle in advance, and then introduce vinyl chloride and chlorine gas (molar ratio 1:1.2) at 20-25°C for chlorination synthesis. The product is obtained by washing with water and separating.

2, 1,2-two Ethyl chloride chlorination method can be obtained by chlorination at 60°C in the presence of aluminum trichloride or other metal chlorides.

Purpose

1. Used as a solvent for fats, oils, waxes and resins, an extractant for dyes and spices, an intermediate for resins and rubber, agricultural pesticides, fumigants and the synthesis of 1,1-dichloroethylene. of raw materials. Used in the production of vinylidene chloride. Also used as a solvent for cellulose acetate, natural rubber, and chlorinated rubber.

2. Used as solvent for organic synthesis. ^[29]

1,2-Propanediamine 1,2-Propanediamine

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	01NV
Molecular formula	C3H10N2
Molecular weight	74.12
label	1,2-diaminopropane, propylenediamine, 1,2-diaminepropane, 1,2-Diaminopropane, Diaminopropane, 1,2-Propanediamine, Nitrogen-containing compound solvents, Analytical reagents

Numbering system

CAS number:78-90-0

MDL number:MFCD00008089

EINECS number:201-155-9

RTECS number:TX6650000

BRN number:605274

PubChem number:24847332

Physical property data

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

2. Melting point (℃): -37.2^[2]

3. Boiling point (℃): 119.5^[3]

4. Relative density (water = 1): 0.87^[4]

5. Relative vapor Density (air=1): 2.5^[5]

6. Saturated vapor pressure (kPa): 1.07 (20℃)^[6]

7. Heat of combustion (kJ/mol): -2511.9^[7]

8. Critical temperature (℃): 316.2^[8]

9. Critical pressure (MPa): 5.27^[9]

10. Octanol/water partition coefficient: -1.200^[10]

11. Flash point (℃): 33 (OC) ^[11]

12. Ignition temperature ( ℃): 360^[12]

13. Explosion upper limit (%): 16.9^[13]

14. Explosion Lower limit (%): 1.9^[14]

15. Solubility: easily soluble in water, soluble in acetone, benzene, chloroform and ethanol, etc. ^[15]

16. Refractive index (20ºC): 1.4460

17. Viscosity (mPa·s, 20ºC): 1.70

18. Specific rotation (º): [α]+29.78°

19. Conductivity (S/m, 25ºC): 10^-8~10^-10

20.pK_a (30ºC): 7.07

21. Volume expansion coefficient (K^-1,20ºC): 0.00107

Toxicological data

1. Acute toxicity^[16]

LD50: 2230mg/kg (rat oral); 500μl/kg (rabbit dermal )

2. Irritation ^[17]

Rabbit transdermal: 5mg (24h), severe irritation.

Rabbit eye: 87 mg, severe irritation.

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3 .Non-biodegradability No information available

4. Other harmful effects^[18] This substance is harmful to the environment and should be treated with special Pay attention to water pollution.

Molecular structure data

1. Molar refractive index: 22.97

2. Molar volume (cm³/mol): 85.7

3. Isotonic specific volume (90.2K ): 206.9

4. Surface tension (dyne/cm): 33.8

5. Polarizability (10^-24cm³): 9.10

Compute chemical data

1. Reference value for calculation of hydrophobic parameters (XlogP): -1.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

p>

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 52

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 20.9

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

1. Its chemical properties are alkaline liquids with strong hygroscopicity. Chemical properties are similar to ethylenediamine. There are optical isomers, but they usually exist as racemates. It is highly alkaline and hygroscopic, and produces white smoke when in contact with air. In case of open flame, high heat or contact with oxidants, there is a risk of combustion and explosion. It decomposes when heated and releases toxic nitrogen oxide fumes. If exposed to high heat, the internal pressure of the container will increase and there is a risk of cracking and explosion.

2. This product is a flammable, toxic, strongly alkaline corrosive liquid. Vapors or liquids can irritate the skin and mucous membranes and can cause allergies and allergic reactions. Inhaling high concentrations of ethylenediamine vapor can cause asthmatic bronchitis, and in severe cases, fatal poisoning. Rats take LD501160mg/kg orally, mice take LD50448mg/kg orally. The maximum allowable concentration at the production site is 10×10-6. General concentrations can cause chronic poisoning to the lungs, liver, kidneys, etc. Production equipment should be sealed to prevent running, emitting, dripping and leaking. Operators should wear protective equipment and avoid direct contact. If it splashes on the skin, eyes, or nose, rinse with water or 2% boric acid solution and apply boric acid ointment. When inhaling vapor, move to fresh air and take a deep breath. In severe cases, seek medical treatment.

3. Stability^[19] Stable

4. Incompatible substances^[20] Acids, acid chlorides, acid anhydrides, strong oxidants, carbon dioxide

5. Conditions to avoid contact ^[21] Heating

6. Polymerization hazard^[22] No polymerization

Storage method

1. This product is a secondary flammable product and can be packaged in glass bottles, 0.5kg or 1.5kg per bottle, or in polyethylene plastic barrels, 5kg, 10kg and 20-25kg per barrel. It can also be packaged in iron drums or stainless steel drums treated with zinc phosphate film, 180kg and 200kg per drum, and can also be transported by truck. This product should be stored in an airtight container, moisture-proof, heat-proof, and isolated from acids.

2. Storage Precautions^[23]Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 32°C and the relative humidity should not exceed 80%. Keep container tightly sealed. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Produced by ammoniation of 1,2-dichloropropane and liquid ammonia. Add 1,2-dichloropropane and 25% ammonia water to the reactor respectively, control the temperature at about 150°C, and maintain the pressure at 2.45MPa. After the ammoniation reaction is completed, the reaction solution is deaminated, neutralized with sodium hydroxide until alkaline, concentrated, desalted, and distilled, and the fraction above 112°C is cut into the finished product, with a yield of 65-70%.

Raw material consumption quota: 1,2-dichloropropane (60%) 8000kg/t, liquid ammonia (95%) 3000kg/t, sodium hydroxide (40%) 10000kg/t.

Refining method: Propylenediamine is prepared by heating 1,2-dichloropropane with ammonia in an ethanol solution, so it is often mixed with Impurities such as other amines and water. During refining, use metallic sodium, anhydrous calcium sulfate, etc. to dehydrate and then distill under reduced pressure. Toluene can also be used for azeotropic distillation and purification.

Purpose

1. Used in the production of mineral processing agents, metal passivators, resin curing agents for sailing, rubber vulcanization accelerators, and also used in dyes, electroplating and analytical reagents (testing of mercury, copper and silver). In the pharmaceutical industry, it is used to produce 1,2-propanediaminetetraacetic acid as an intermediate for the anticancer drug propylimine. This product is used as aerospace resin curing agent, rubber vulcanization accelerator, mineral processing agent, metal passivation agent, and also used as a manufacturing raw material for dyes, electroplating, etc. This product is also used as an analytical reagent. Used as a solvent for nitrocellulose, paint, vegetable oil, rosin, etc.

2. Used as aerospace resin curing agent, rubber vulcanization accelerator, mineral processing agent, metal passivation agent, and also used in dyes, electroplating, analytical reagents, etc.

3. Used as rubber accelerator, additive, solvent, analytical reagent, and in the manufacture of dyes, drugs, etc. ^[24]

1,2-Dichloropropane 1,2-Dichloropropane

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	01NT
Molecular formula	C3H6Cl2
Molecular weight	112.99
label	Propylene-o-dichloride, propylene dichloride, Chlorinated propylene, Propylene dichloride, Propylene chloride, Solvent for resins and waxes, metal degreaser, soil fumigant, pesticides, Medium for chlorination and sulfonation reactions, Aliphatic halogenated derivatives

Numbering system

CAS number:78-87-5

MDL number:MFCD00000868

EINECS number:201-152-2

RTECS number:TX9625000

BRN number:1718880

PubChem number:24845325

Physical property data

1. Properties: colorless liquid with chloroform smell.

2. Boiling point (ºC): 95~96

3. Melting point (ºC): -100

4. Relative density (g/mL, 20ºC ): 1.156

5. Relative vapor density (g/mL, air=1): 3.9

6. Refractive index: 1.4388

7. Viscosity ( mPa·s, 20ºC): 0.865

8. Flash point (ºC): 4

9. Fire point (ºC): 557.2

10. Heat of evaporation (KJ/kg, b.p.): 323.2

11. Heat of fusion (KJ/kg): 56.6

12. Heat of combustion (KJ/mol): 1545.4

13. Specific heat capacity (KJ/(kg·K), 20ºC): 1.30

14. Critical temperature (ºC): 304.3

15. Critical pressure (MPa): 4.4

16. Vapor pressure (kPa, 20ºC): 5.33

17. Lower explosion limit (%, V/V): 3.4

18. Upper explosion limit ( %, V/V): 14.5

19. Body expansion coefficient (K^-1, 20ºC): 0.001108

20. Solubility: insoluble in Water is miscible with most organic solvents such as ethanol, ether, benzene, and carbon tetrachloride. Can dissolve grease, wax, rubber, resin and various dyes. The solubility in water at 20℃ is 0.26%.

21. Solubility parameter (J·cm^-3)^0.5: 18.395

22. van der Waals area ( cm²·mol^-1): 7.640×10⁹

23. van der Waals volume (cm³·mol^-1): 54.540

24. The gas phase standard claims heat (enthalpy) (kJ·mol^-1) :-162.8

25. Liquid phase standard claimed heat (enthalpy) (kJ·mol^-1): -198.8

26. Liquid phase standard hot melt (J·mol^-1·K^-1)：145.8

Toxicological data

Can irritate eyes and mucous membranes and cause dermatitis. High concentrations have a depressant effect on the central nervous system. And damage the liver and kidneys. The olfactory threshold concentration is 231 mg/m3, and the maximum allowable concentration in the workplace is 350 mg/m3 (USA). The oral LD50 of mice is 860mg/kg, and the lethal concentration of inhalation in rats is 9240mg/m3.

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 25.60

2. Molar volume (cm³/mol): 101.2

3. Isotonic specific volume (90.2K ): 225.7

4. Surface tension (dyne/cm): 24.7

5. Polarizability (10^-24cm³): 10.15

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 20.9

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

Its vapor and air form an explosive mixture, which can cause combustion and explosion when exposed to open flames and high heat. The explosion limit is 3.4~14.5 (volume) and is decomposed by high heat to produce toxic corrosive gases. Pure and dry 1,2-dichloropropane is non-corrosive to metals. When water is present, it releases highly corrosive hydrogen chloride. Light can accelerate the decomposition reaction. Heating to 540~750℃ generates a mixture of 3-chloropropene and 1-chloropropene. It is heated to above 96°C in an aqueous alkali solution under pressure to generate 2-chloropropene. The alcohol solution with alkali is heated to 60~75°C to generate a mixture of 2-chloropropene and 1-chloropropene. Reacts with lower fatty acid salts to form esters of 1,2-propanediol. Heated with concentrated ammonia to 80°C to obtain the hydrochloride of 1,2-diaminopropane.

Storage method

Seal and save. The warehouse is ventilated and dried at low temperature; stored separately from oxidants and acids. It can be stored in iron, mild steel or aluminum containers.

Synthesis method

Obtained from liquid phase low-temperature chlorination of propylene and chlorine in dichloropropane. This product is also produced during the high-temperature chlorination of propylene to produce chloropropane.

[Preparation method] Propylene and chlorine are obtained by low-temperature chlorination of propylene and chlorine in dichloropropane.

Purpose

Used as raw materials for organic synthesis, solvents for oils and fats, raw materials for detergents, resins, and pesticides. Propylenediamine can be obtained by amination. 1,2-Dichloropropane and 1,3-Dichloropropene, as pesticide drop-mixing agents, D-D, Vidden D, [8003-19-8]. D-D is a pre-sowing nematicide that can effectively control soil nematodes, including root knot nematodes, meadow nematodes, stinging nematodes, sword nematodes, spiral nematodes and beet nematodes. The effect is best when the pesticide is applied to a soil depth of 15-20cm. This product is phytotoxic, and there must be at least 15 days between application and planting. Less toxic to bees. Used as a solvent for resins and waxes, a degreasing agent for metals, a fumigant for soil, a pesticide, a medium for chlorination and sulfonation reactions, and a raw material for manufacturing amines, rubber, medicine, etc. Mixtures with acetone can be used as solvents for cellulose ethers and cellulose esters.

1,4-Diisopropylbenzene 1,4-Diisopropylbenzene

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	02HD
Molecular formula	C12H18
Molecular weight	162.27
label	1,4-diisopropylbenzene, 1,4-diisopropylbenzene, p-Dicumylbenzene, p-diisopropylbenzene, C6H4[CH(CH3)2]2, 1,4-Diisopropylbenzene, P-Diisopropylbenzene, 1,4-Bis(1-methylethyl)-benzen, 1,4-Bis(1-methylethyl)benzene, 1,4-Bis(1-methylethyl)-Benzene, 4-Isopropylcumene, Benzene, 1,4-di-(1-methylethyl), Benzene, p-diisopropyl-

Numbering system

CAS number:100-18-5

MDL number:MFCD00008892

EINECS number:202-826-9

RTECS number:CZ6360000

BRN number:1854739

PubChem number:24863977

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 0.8568

3. Relative vapor density (g/mL, air=1): 5.6

4. Melting point (ºC): -17

5. Boiling point (ºC, normal pressure): 210.3

6. Liquid phase standard hot melt (J·mol^-1·K^-1): 314.5

7. Refractive index (n²⁰): 1.4898

8 . Flash point (ºC): 76

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 20ºC): 0.25

12. Solubility parameter (J·cm^-3)^0.5: 16.930

13. van der Waals area (cm²·mol^-1): 1.404×10¹⁰

14. van der Waals volume (cm³·mol^-1): 101.000

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: Undetermined

Toxicological data

Acute toxicity: Unknown via rat LD50: 11540mg/kg; Mouse oral LD50: 3400mg/kg; Mouse peritoneal cavity LD50: 1650mg/kg;Unknown LD50 in mice: 7980mg/kg;

Ecological data

This substance may be harmful to the environment. It is recommended not to let it enter the environment. It may cause pollution to water bodies and the atmosphere.

Molecular structure data

1. Molar refractive index: 54.62

2. Molar volume (cm³/mol): 189.5

3. Isotonic specific volume (90.2K ): 437.3

4. Surface tension (dyne/cm): 28.3

5. Dielectric constant: 2.30

6. Dipole moment (10^-24cm³):

7. Polarizability: 21.65

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: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 100

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. should be kept away from oxidizer, do not store together. 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

None yet

Purpose

Used in organic synthesis.

1,2-Dibromopropane 1,2-Dibromopropane

Published by BDMAEE on 2024-01-12 | Permalink

Structural formula

Business number	01NF
Molecular formula	C3H6Br2
Molecular weight	201.89
label	Dibromopropane, propylene dibromide, 2-bromopropyl bromide, Propylene dibromide, Propylene bromide, Aliphatic halogenated derivatives

Numbering system

CAS number:78-75-1

MDL number:MFCD00000148

EINECS number:201-139-1

RTECS number:TX8574000

BRN number:1718884

PubChem number:24848483

Physical property data

1. Properties: colorless to yellow liquid ^[1]

2. Melting point (℃): -55.2^{[2 ]}

3. Boiling point (℃): 140~142^[3]

4. Relative density (water=1): 1.94 ^[4]

5. Saturated vapor pressure (kPa): 1.33 (35.7℃) ^[5]

6. Critical pressure (MPa): 4.08^[6]

7. Octanol/water partition coefficient: 2.43^[7]

8. Flash point (℃): <-75^[8]

9. Solubility: insoluble in water, miscible in ethanol, ether, acetone, and chloroform. ^[9]

10. Viscosity (mPa·s, 20ºC): 1.62

11. Relative evaporation rate (ether=1): 28

12. Solubility (%, water, 20ºC): 0.25

13. Relative density (20℃, 4℃): 1.9323

14. Relative density (25 ℃, 4℃): 1.9420

15. Solubility parameter (J·cm^-3)^0.5: 20.852

16.van der Waals area (cm²·mol^-1): 8.200×10⁹

17.van der Waals volume (cm³·mol^-1): 60.100

18. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): -71.5

19. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): -113.2

20. Liquid phase standard hot melt (J·mol^-1·K^-1): 160.6

Toxicological data

1. Acute toxicity^[10]

LD50: 741mg/kg (rat oral)

LC50: 12000mg/m³ (rat inhalation, 4h)

2. Irritation No information available

Ecological data

1. Ecotoxicity No data available

2. Biodegradability No data available

3. Non-biodegradability^[11] In the air, when the concentration of hydroxyl radicals is 5.00×10⁵/cm When ³, the degradation half-life is 37 days (theoretical).

At 25℃, when the pH value is 7, the hydrolysis half-life is 320d (theoretical).

Molecular structure data

1. Molar refractive index: 31.36

2. Molar volume (cm³/mol): 104.7

3. Isotonic specific volume (90.2K ): 253.1

4. Surface tension (dyne/cm): 34.0

5. Polarizability: 12.43

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 5

8. Surface charge: 0

9. Complexity: 20.9

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

1. This product is a non-flammable and non-explosive liquid. The solubility in water is 0.2% at 25°C and 0.3% at 80°C. It can decompose and release poisonous gas when exposed to high temperatures. Does not burn or explode. When heated, part of it becomes 1,3-dibromopropane. Substitution and addition reactions can occur. The decomposition temperature is about 425℃. Pay attention to ventilation and protection during production and use.

2. Stability^[12] Stable

3. Incompatible substances^[13] Strong alkali, strong oxidizing agent, magnesium

4. Conditions to avoid contact ^[14] Light and heat p>

5. Polymerization hazard^[15] No polymerization

6. Decomposition products^[16] sup> Hydrogen bromide

Storage method

Storage Precautions^[17] Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Purpose

1. Used as solvent and in organic synthesis. ^[18]