1,2,3-trichlorobenzene
structural formula
| business number | 01y7 |
|---|---|
| molecular formula | c6h3cl3 |
| molecular weight | 181 |
| label |
none |
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.