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Merck
CN

36911

Supelco

α,α,α-Trichlorotoluene

analytical standard

Synonym(s):

(Trichloromethyl)benzene, Benzotrichloride

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About This Item

Linear Formula:
C6H5CCl3
CAS Number:
98-07-7
Molecular Weight:
195.47
Beilstein:
508152
EC Number:
202-634-5
MDL number:
MFCD00000786
UNSPSC Code:
41116107
PubChem Substance ID:
329755535

Key Documents

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grade

analytical standard

vapor density

6.77 (vs air)

vapor pressure

0.2 mmHg ( 20 °C)

autoignition temp.

411 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

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.)

density

1.38 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

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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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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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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)
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
[Rapid methods for determining the cumulative properties of substances].
G I Sidorenko et al.
Zeitschrift fur die gesamte Hygiene und ihre Grenzgebiete, 29(9), 502-504 (1983-09-01)
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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