CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,2,3-trichlorobenzene appears as a white solid with a sharp chlorobenzene odor. Insoluble in water and denser than water. Hence sinks in water. Melting point 63-64 °C (145-147 °F). |
|---|---|
| Color/Form | Platelets from alcohol |
| Boiling Point | 424 to 426 °F at 760 mmHg (NTP, 1992) |
| Melting Point | 126.7 °F (NTP, 1992) |
| Flash Point | 234.9 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| Density | 1.69 at 77 °F (USCG, 1999) - Denser than water; will sink |
| Vapor Density | 6.2 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1 mmHg at 104 °F (NTP, 1992) |
| LogP | log Kow = 4.05 |
| Henry's Law Constant | Henry's Law constant = 1.25X10-3 atm-cu m/mol |
| Decomposition | When heated to decomposition it emits toxic vapors of /hydrogen chloride/. |
| Viscosity | 1.68 mPa.s at 50 °C |
| Heat of Vaporization | 291 J/g at 100 °C; 271.7 J/g at 150 °C; 251.6 J/g at 200 °C |
| Odor Threshold | 3 ppm |
| Kovats Retention Index | 1183 1190 1199 1204 1214 1224.6 1211 1228 1211 1217 1228 1189 1211 1225.9 1194.2 1211.5 1197 1194 1176 1182 1179.8 1195.7 1188 |
| Other Experimental Properties | Enthalpy of fusion: 17.9 kJ/mol |
| Chemical Classes | Solvents -> Chlorinated Aromatics |
COMPUTED DESCRIPTORS
| Molecular Weight | 181.4 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 179.930033 g/mol |
| Monoisotopic Mass | 179.930033 g/mol |
| Topological Polar Surface Area | 0 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 84.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Trichlorobenzenes are human-made compounds that occur in three different chemical forms. Although they have the same molecular weight and molecular formula, they differ structurally by where the chlorine atoms are attached to the benzene ring. Compounds like these are referred to as isomers. 1,2,3-Trichlorobenzene and 1,3,5-trichlorobenzene are colorless solids, while 1,2,4-trichlorobenzene is a colorless liquid. Although the three isomers of trichlorobenzenes have the same molecular weight and formula, they each may have different chemical and toxicological properties. Trichlorobenzenes have primarily been used as solvents and chemical intermediates to produce other compounds. In the past, mixed isomers of trichlorobenzene had been used for termite control, but this is not a current use. One of the isomers (1,2,4-trichlorobenzene) is produced in large quantities and is used as a solvent to dissolve such special materials as oils, waxes, resins, greases, and rubber. It is also frequently used to produce dyes and textiles. The other two isomers, 1,2,3-trichlorobenzene and 1,3,5-trichlorobenzene, are produced in lower quantities and have fewer uses.