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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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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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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.

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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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
H Yoshimura et al.
Sangyo igaku. Japanese journal of industrial health, 28(5), 352-359 (1986-09-01)
Benzotrichloride and benzoyl chloride are suspected to be causative agents of lung cancer and maxillary malignant lymphoma of workers employed in factories producing benzoyl chloride. The present study was undertaken to evaluate the carcinogenicity in mice of inhaling benzotrichloride and
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)
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
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