147893

Sigma-Aldrich

α,α,α-Trichlorotoluene

98%

Synonym(s):
Benzotrichloride, (Trichloromethyl)benzene
Linear Formula:
C6H5CCl3
CAS Number:
Molecular Weight:
195.47
Beilstein/REAXYS Number:
508152
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

vapor density

6.77 (vs air)

Quality Level

vapor pressure

0.2 mmHg ( 20 °C)

assay

98%

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.

Packaging

500 g in glass bottle

Signal Word

Danger

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

T

Risk Statement

45-22-23-37/38-41

Safety Statement

53-45

RIDADR

UN 2226 8 / PGII

WGK Germany

WGK 3

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

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...
M You et al.
Carcinogenesis, 14(6), 1247-1249 (1993-06-01)
Benzotrichloride (BTC) is used extensively as a chemical intermediate in the synthesis of benzoyl chloride and benzoyl peroxide. Epidemiological data suggest that BTC is a human lung carcinogen. BTC is also a carcinogen in the A/J mouse lung tumor bioassay....
Benzotrichloride.
Report on carcinogens : carcinogen profiles, 10, 30-31 (2004-08-21)
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...
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...

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