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Sigma-Aldrich

α,α,α-Trichlorotoluene

98%

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Synonym(s):
(Trichloromethyl)benzene, Benzotrichloride
Linear Formula:
C6H5CCl3
CAS Number:
98-07-7
Molecular Weight:
195.47
Beilstein:
508152
EC Number:
202-634-5
MDL number:
MFCD00000786
PubChem Substance ID:
24848863
NACRES:
NA.22

vapor density

6.77 (vs air)

Quality Level

100

vapor pressure

0.2 mmHg ( 20 °C)

Assay

98%

form

liquid

autoignition temp.

411 °F

refractive index

n20/D 1.557 (lit.)

bp

219-223 °C/760 mmHg (lit.)
90-91 °C/15 mmHg (lit.)

mp

−7.5-−7 °C (lit.)

solubility

alcohol: soluble
benzene: soluble
diethyl ether: soluble
organic solvents: soluble
water: insoluble

density

1.38 g/mL at 25 °C (lit.)

SMILES string

ClC(Cl)(Cl)c1ccccc1

InChI

1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H

InChI key

XEMRAKSQROQPBR-UHFFFAOYSA-N

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General description

FT-IR and FT-Raman spectra of α,α,α-trichlorotoluene has been studied.

Application

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.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 1B - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Isabel Martí et al.
Journal of chromatography. A, 1077(1), 68-73 (2005-07-02)
A study of the occurrence of chlorinated toluenes in Llobregat river (NE Spain) has been carried out. These compounds are currently being used in local textile industries as dye carriers and have replaced the common trichlorobenzene mixtures. Closed loop stripping
Benzotrichloride.
IARC monographs on the evaluation of the carcinogenic risk of chemicals to humans, 29, 73-82 (1982-05-01)
Benzotrichloride.
Report on carcinogens : carcinogen profiles, 11, III31-III32 (2004-01-01)
Tamar Kohn et al.
Environmental science & technology, 40(13), 4253-4260 (2006-07-22)
Cross-correlations of rate constants between a system of interest and a better-defined one have become popular as a tool in studying transformations of organic pollutants. A slope of unity (if the correlation is conducted on a log-log basis) in such
G D Stoner et al.
Cancer letters, 33(2), 167-173 (1986-11-01)
Benzotrichloride (BTC) is used in the synthesis of benzoyl chloride and benzoyl peroxide. Epidemiological data suggest that BTC is a human lung carcinogen. In the present study, BTC was evaluated for its ability to induce lung adenomas in strain A/J
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