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Merck
CN

147893

α,α,α-Trichlorotoluene

98%

Synonym(s):

(Trichloromethyl)benzene, Benzotrichloride

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About This Item

Linear Formula:
C6H5CCl3
CAS Number:
98-07-7
Molecular Weight:
195.47
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848863
EC Number:
202-634-5
Beilstein/REAXYS Number:
508152
MDL number:
MFCD00000786
Assay:
98%
Form:
liquid

Key Documents

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Product Name

α,α,α-Trichlorotoluene, 98%

InChI key

XEMRAKSQROQPBR-UHFFFAOYSA-N

InChI

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

SMILES string

ClC(Cl)(Cl)c1ccccc1

vapor density

6.77 (vs air)

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.)

Quality Level

100

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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.

General description

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

signalword

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

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ8347
MKCW9247
MKCP7257
MKCN8050
MKCN2172

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Benzotrichloride.
Report on carcinogens : carcinogen profiles, 12, 66-67 (2011-08-19)
A mortality study of workers in a factory manufacturing chlorinated toluenes.
T Sorahan et al.
The Annals of occupational hygiene, 27(2), 173-182 (1983-01-01)
Benzotrichloride.
IARC monographs on the evaluation of the carcinogenic risk of chemicals to humans, 29, 73-82 (1982-05-01)
O Wong
American journal of industrial medicine, 14(4), 417-431 (1988-01-01)
The cohort of this historical prospective mortality study consisted of 697 male employees at a chlorination plant. A majority of the cohort was potentially exposed to benzotrichloride, benzyl chloride, benzoyl chloride, and other related chemicals. The mortality experience of the
K Fukuda et al.
Industrial health, 31(3), 127-131 (1993-01-01)
Epidemiological studies suggest that benzotrichloride (BTC) is a human carcinogen. In the present study, BTC was tested to evaluate its ability to induce lung tumors as a result of systemic exposure. Administration of BTC by gastric intubation, 2.0-0.0315 microliters/mouse (4
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