Title: Benzotrichloride
CAS Registry Number: 98-07-7
CAS Name: (Trichloromethyl)benzene
Additional Names: a,a,a-trichlorotoluene; phenylchloroform; w,w,w-trichlorotoluene; benzenyl trichloride; toluene trichloride
Molecular Formula: C7H5Cl3
Molecular Weight: 195.47
Percent Composition: C 43.01%, H 2.58%, Cl 54.41%
Literature References: Produced by chlorination of boiling toluene in the presence of light and of 2% phosphorus trichloride: Swarts, Bull. Soc. Chim. Belg. 31, 375 (1922); Conklin, US 1828858; US 1828859 (both 1931 to Solvay Process Co.). Commercial grades may contain hydrochloric acid, benzylidene chloride, and benzyl chloride. Purification procedures: Holleman, deMooy, Rec. Trav. Chim. 33, 25, 33 (1914); Britton, US 1804458 (1931 to Dow); Chem. Zentralbl. 1931, II, 497. Toxicity data: H. F. Smyth et al., Arch. Ind. Hyg. Occup. Med. 4, 119 (1951). Review: H. C. Lin in Kirk-Othmer Encyclopedia of Chemical Technology vol. 6 (John Wiley & Sons, New York, 4th ed., 1993) pp 113-126.
Properties: Colorless, oily liquid with pungent odor. Fumes in air. mp -5.0°. d420 1.3756. bp760 220.8°. bp60 129°; bp25 105°; bp10 89°. nD20 1.55789. Autoignition temp: 211°. Unstable. Hydrolyzes in the presence of moisture, forming benzoic and hydrochloric acids. Insol in water. Sol in alcohol, benzene, ether, many other organic solvents. LD50 orally in rats: 6.0 g/kg (Smyth).
Melting point: mp -5.0°
Boiling point: bp760 220.8°; bp60 129°; bp25 105°; bp10 89°
Index of refraction: nD20 1.55789
Density: d420 1.3756
Toxicity data: LD50 orally in rats: 6.0 g/kg (Smyth)
CAUTION: Vapors may be stongly irritanting and lacrimatory (Lin). This substance is reasonably anticipated to be a human carcinogen: Report on Carcinogens, Eleventh Edition (PB2005-104914, 2004) p III-31.
Use: In dye chemistry. In organic syntheses (source of benzenyl group).
Benzotrifluoride Benzoxiquine Benzoxonium Chloride Benzoyl Chloride Benzoyl Isothiocyanate

CAS number 98-07-7 YesY
ChemSpider 13882366 YesY
KEGG C19166 YesY
RTECS number XT9275000
Jmol-3D images Image 1
Molecular formula C7H5Cl3
Molar mass 195.48
Appearance Clear liquid
Density 1.3756 g/mL
Melting point -5.0 °C
Boiling point 220.8 °C
Solubility in water 0.05g/L
Solubility organic solvents
R-phrases R45 R22 R23 R37/38 R41
S-phrases S53 S45
NFPA 704
NFPA 704.svg
Flash point 97.22 °C; 207.00 °F; 370.37 K
Autoignition temperature 420 °C; 788 °F; 693 K
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Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

Benzotrichloride, also known as trichlorotoluene is an organic compound with the formula C6H5CCl3. It is principally used as an intermediate in the preparation of other chemical products such as dyes.[1][2]