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Merck
CN

26530

2-Chlorotoluene

purum, ≥98.0% (GC)

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About This Item

Linear Formula:
CH3C6H4Cl
CAS Number:
95-49-8
Molecular Weight:
126.58
EC Number:
202-424-3
UNSPSC Code:
12352100
PubChem Substance ID:
24856063
Beilstein/REAXYS Number:
1904175
MDL number:
MFCD00000562

Key Documents

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vapor density

4.38 (vs air)

vapor pressure

10 mmHg ( 43 °C)

grade

purum

assay

≥98.0% (GC)

refractive index

n20/D 1.525

bp

157-159 °C (lit.)

mp

−36 °C (lit.)

solubility

alcohol: freely soluble(lit.), benzene: freely soluble(lit.), chloroform: freely soluble(lit.), diethyl ether: freely soluble(lit.), water: slightly soluble(lit.)

density

1.083 g/mL at 25 °C (lit.)

SMILES string

Cc1ccccc1Cl

InChI

1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

InChI key

IBSQPLPBRSHTTG-UHFFFAOYSA-N

General description

The headspace solid-phase microextarction of 2-chlorotoluene, followed by gas chromatography, was studied.

Application

2-Chlorotoluene was used in the synthesis of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol.

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Acute 1 - Aquatic Chronic 2 - Flam. Liq. 3 - Repr. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

Regulatory Information

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Xu Rong et al.
Talanta, 98, 265-271 (2012-09-04)
A poly(p-phenylenediamine-co-aniline) composite coating was prepared on a stainless steel wire through electrochemical method. The coating was characterized by scanning electron microscopy, Fourier transform infrared spectrophotometry and thermogravimetry. It showed thin slice shape and netlike microstructure, and thus it had
Daniel Dobslaw et al.
Applied microbiology and biotechnology, 93(5), 2205-2214 (2011-08-27)
A strain Rhodococcus sp. OCT 10 DSM 45596(T), exhibiting 99.9% of 16S rDNA identity with Rhodococcus wratislaviensis NCIMB 13082, was isolated from a soil sample. The strain completely mineralised 2-chlorotoluene, 2-bromotoluene, o-xylene, benzyl alcohol and benzoate. In contrast, 2-fluorotoluene was
M A Haro et al.
Journal of biotechnology, 85(2), 103-113 (2001-02-13)
In this article, we illustrate the challenges and bottlenecks in the metabolic engineering of bacteria destined for environmental bioremediation, by reporting current efforts to construct Pseudomonas strains genetically designed for degradation of the recalcitrant compound 2-chlorotoluene. The assembled pathway includes
Katrin Pollmann et al.
Journal of bacteriology, 187(7), 2332-2340 (2005-03-19)
To elucidate possible reasons for the recalcitrance of 2-chlorotoluene, the metabolism of chloromethylcatechols, formed after dioxygenation and dehydrogenation by Ralstonia sp. strain PS12 tetrachlorobenzene dioxygenase and chlorobenzene dihydrodiol dehydrogenase, was monitored using chlorocatechol dioxygenases and chloromuconate cycloisomerases partly purified from
M Govindarajan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(5), 1005-1013 (2010-09-28)
In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 100-4000 cm(-1) and 50-4000 cm(-1), respectively, for the title molecules. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands
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