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α,α,α-Trichlorotoluene

98%

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Synonym(s):
(Trichloromethyl)benzene, Benzotrichloride
Linear Formula:
C6H5CCl3
CAS Number:
Molecular Weight:
195.47
Beilstein:
508152
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

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.)

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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This Item
54794811775736580
form

liquid

form

liquid

form

-

form

-

refractive index

n20/D 1.557 (lit.)

refractive index

n20/D 1.414 (lit.)

refractive index

n20/D 1.432 (lit.)

refractive index

-

bp

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

bp

102 °C (lit.)

bp

78-81 °C/10 mmHg (lit.)

bp

250-255 °C (lit.)

mp

−7.5-−7 °C (lit.)

mp

−29 °C (lit.)

mp

-

mp

33-35 °C (lit.)

solubility

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

solubility

-

solubility

THF: soluble

solubility

methanol: soluble 1 g/10 mL, clear, colorless

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

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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
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.
Report on carcinogens : carcinogen profiles, 12, 66-67 (2011-08-19)
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
Benzotrichloride.
IARC monographs on the evaluation of the carcinogenic risk of chemicals to humans, 29, 73-82 (1982-05-01)

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