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111910

2-Chlorotoluene

99%

Synonym(s):

1-chloro-2-methylbenzene

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About This Item

Linear Formula:
CH3C6H4Cl
CAS Number:
95-49-8
Molecular Weight:
126.58
NACRES:
NA.22
PubChem Substance ID:
24847049
eCl@ss:
39050205
UNSPSC Code:
12352100
EC Number:
202-424-3
MDL number:
MFCD00000562
Beilstein/REAXYS Number:
1904175
Assay:
99%
Form:
liquid
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vapor density

4.38 (vs air)

Quality Segment

100

vapor pressure

10 mmHg ( 43 °C)

assay

99%

form

liquid

refractive index

n20/D 1.525 (lit.)

bp

157-159 °C (lit.)

mp

−36 °C (lit.)

solubility

H2O: soluble

density

1.083 g/mL at 25 °C (lit.)

functional group

chloro

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

2-Chlorotoluene can be mineralized completely by Rhodococcus, strain OCT 10 DSM 45596(T). It is used in the preparation of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol. The oxidation of 2-chlorotoluene is very well catalyzed by the enzymes: toluene dioxygenase of P. putida F1 and chlorobenzene dioxygenase from Burkholderia, strain PS12.

Application

2-Chlorotoluene can be used as a precursor to synthesize aryl coupling products via palladium-catalyzed Negishi cross-coupling. It can also be used in the Buchwald-Hartwig amination to synthesize arylamines.

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

ppe

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

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