α,α,α-Trichlorotoluene , 99% , 98-07-7
Synonym(s):
(Trichloromethyl)benzene;Benzotrichloride
CAS NO.：98-07-7
Empirical Formula: C7H5Cl3
Molecular Weight: 195.47
MDL number: MFCD00000786
EINECS: 202-634-5
PRODUCT Properties
| Melting point: | −7.5-−7 °C(lit.) |
| Boiling point: | 219-223 °C760 mm Hg(lit.) |
| Density | 1.38 g/mL at 25 °C(lit.) |
| vapor density | 6.77 (vs air) |
| vapor pressure | 0.2 mm Hg ( 20 °C) |
| refractive index | n |
| Flash point: | 207 °F |
| storage temp. | room temp |
| solubility | alcohol: soluble |
| form | Liquid |
| color | Clear yellow |
| Odor | penetrating odor |
| Water Solubility | HYDROLYSIS |
| Sensitive | Moisture Sensitive |
| Merck | 14,1109 |
| BRN | 508152 |
| Exposure limits | ACGIH: Ceiling 0.1 ppm (Skin) |
| Dielectric constant | 7.4（20℃） |
| Stability: | Stable, but moisture sensitive. Incompatible with strong oxidizing agents, moisture. |
| InChIKey | XEMRAKSQROQPBR-UHFFFAOYSA-N |
| LogP | 2.92 at 20℃ and pH6 |
| CAS DataBase Reference | 98-07-7(CAS DataBase Reference) |
| IARC | 2A (Vol. 29, Sup 7, 71) 1999 |
| NIST Chemistry Reference | Benzene, (trichloromethyl)-(98-07-7) |
| EPA Substance Registry System | Benzotrichloride (98-07-7) |
Description and Uses
Exhaustive chlorination of the side-chain of toluene leads to benzotrichloride (trichloromethyl benzene, a,a,a-trichlorotoluene, phenyl chloroform) [98-07-7]. The compound was first synthesized in 1858 by L. SCHISCHKOFF and A. ROSING, using the reaction of PCl5 with benzoyl chloride. Benzotrichloride is now produced on a large scale, since it serves as an important intermediate in the preparation of acid chlorides (benzoyl chloride), dyes, herbicides, pesticides, and other products.
α,α,α-Trichlorotoluene was used in determination of chlorinated toluenes in effluents of wastewater treatment plants and textile industries by closed loop stripping analysis.
Safety
| Symbol(GHS) |    GHS05,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H302-H315-H317-H318-H331-H335-H350 |
| Precautionary statements | P280-P301+P312-P302+P352-P304+P340+P311-P305+P351+P338-P308+P313 |
| Hazard Codes | T |
| Risk Statements | 45-22-23-37/38-41 |
| Safety Statements | 53-45 |
| RIDADR | UN 2226 8/PG 2 |
| WGK Germany | 3 |
| RTECS | XT9275000 |
| Autoignition Temperature | 411 °F |
| TSCA | Yes |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29039990 |
| Hazardous Substances Data | 98-07-7(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 6.0 g/kg (Smyth) |
| Limited Quantities | 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
