Benzotrichloride

Benzotrichloride
Skeletal formula of benzotrichloride
Ball-and-stick model of the benzotrichloride molecule
Names
Preferred IUPAC name
(Trichloromethyl)benzene
Other names
Toluene trichloride
Phenyl chloroform
α,α,α-Trichlorotoluene
PhCCl3
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.002.395 Edit this at Wikidata
EC Number
  • 202-634-5
KEGG
RTECS number
  • XT9275000
UNII
UN number 2226
  • InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H checkY
    Key: XEMRAKSQROQPBR-UHFFFAOYSA-N checkY
  • ClC(Cl)(Cl)c1ccccc1
Properties
C7H5Cl3
Molar mass 195.48
Appearance Clear liquid
Odor unpleasant
Density 1.3756 g/mL
Melting point −5.0 °C (23.0 °F; 268.1 K)
Boiling point 220.8 °C (429.4 °F; 493.9 K)
0.05g/L
Solubility organic solvents
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 potential occupational carcinogen
GHS labelling:
GHS05: CorrosiveGHS06: ToxicGHS07: Exclamation markGHS08: Health hazard
Danger
H302, H305, H315, H318, H331, H335, H350
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
3
1
0
Flash point 97.22 °C (207.00 °F; 370.37 K)
420 °C (788 °F; 693 K)
Lethal dose or concentration (LD, LC):
120 mg/kg (in rats)[citation needed]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Benzotrichloride (BTC), also known as α,α,α-trichlorotoluene, phenyl chloroform or (trichloromethyl)benzene, is an organic compound with the formula C6H5CCl3. Benzotrichloride is an unstable, colorless or somewhat yellowish, viscous, chlorinated hydrocarbon with a penetrating odor. Benzotrichloride is used extensively as a chemical intermediate for products of various classes, i.e. dyes and antimicrobial agents.[1]

  1. ^ Yasuo, Kimie; Fujimoto, Sachiko; Katoh, Masanobu; Kikuchi, Yoshiaki; Kada, Tsuneo (1978-11-01). "Mutagenicity of benzotrichloride and related compounds". Mutation Research/Genetic Toxicology. 58 (2): 143–150. doi:10.1016/0165-1218(78)90003-4. ISSN 0165-1218. PMID 106269.