1,2,3-trichlorobenzene

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:87-61-6

mdl number:mfcd00000537

einecs number:201-757-1

rtecs number:dc2095000

brn number:956882

pubchem number:24862748

physical property data

1. properties: colorless liquid or plate crystal (in alcohol)

2. relative density (g/ml, 100/4℃): 1.381

3. relative density (solid): 1.69

4. melting point (ºc): 53.5

5. boiling point (ºc, normal pressure): 218.5

6. refraction rate (20ºc): 1.5776

7. flash point (ºc): 126

8. fire point (ºc): >500

9. solubility: insoluble in water, slightly soluble in ethanol, easily soluble in organic solvents such as ether, benzene, petroleum ether, carbon disulfide, chlorinated hydrocarbons.

10. relative density (25℃, 4℃): 1.3812⁹⁸

11. gas phase standard entropy (j·mol^-1·k^-1): 369.67

12. gas phase standard hot melt (j·mol^-1·k^-1 )：128.71

toxicological data

1. acute toxicity

rat caliber ld50: 1830mg/kg;

mouse abdominal cavity ld50: 1390mg/kg;

2. teratogenicity sex

mouse: 250mg/kg/24h;

3. other multiple dose toxicity data

rat caliber tdl0: 7020 mg/kg/13w- c;

4. irritate eyes and respiratory tract, causing cough, sore throat and red eyes.

ecological data

the substance is toxic to aquatic life.

molecular structure data

1. molar refractive index: 40.93

2. molar volume (cm³/mol): 125.2

3. isotonic specific volume (90.2k): 314.8

4. surface tension (dyne/cm): 39.9

5. polarizability (10^-24cm³): 16.22

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: 9

8. surface charge: 0

9. complexity: 84.3

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

decomposes when heated or burned, producing toxic and corrosive fumes containing chlorine, hydrogen chloride and carbon monoxide. with�the oxidizing agent reacts.

storage method

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

synthesis method

1. the nontoxic body of 666 dried by pyrolysis method is heated in a pyrolysis kettle to obtain trichlorobenzene, and a large amount of hydrogen chloride is produced as a by-product. 2. alkaline hydrolysis method: trichlorobenzene is obtained by heating the nontoxic body of 666 with lime milk, and at the same time, a large amount of calcium chloride liquid is produced as a by-product. the trichlorobenzene obtained by the above two methods is a mixture of three isomers: 1,2,4-trichlorobenzene; 1,3,5-trichlorobenzene; 1,2,3-trichlorobenzene. , 4-trichlorobenzene is the main component. among the trichlorobenzene produced by the lime milk method, the content of 1,2,4-trichlorobenzene is more than 75%, and 1,2,3-trichlorobenzene accounts for about 20%.

purpose

used as solvent and pharmaceutical intermediate. used in the production of pesticides, dyes, transformer oil, electrolyte, lubricating oil and heat transfer media.