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111910 Sigma-Aldrich

2-Chlorotoluene

99%

Synonym: 1-chloro-2-methylbenzene

  • CAS Number 95-49-8

  • Linear Formula CH3C6H4Cl

  • Molecular Weight 126.58

  •  Beilstein/REAXYS Number 1904175

  •  EC Number 202-424-3

  •  MDL number MFCD00000562

  •  eCl@ss 39050205

  •  PubChem Substance ID 24847049

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Properties

Related Categories Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons,
vapor density   4.38 (vs air)
vapor pressure   10 mmHg ( 43 °C)
InChI Key   IBSQPLPBRSHTTG-UHFFFAOYSA-N
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.)

Description

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.

Packaging

1, 4 kg in glass bottle

100 g in glass bottle

Safety & Documentation

Safety Information

Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
UN 2238 3 / PGIII
WGK Germany 
2
RTECS 
XS9000000
Flash Point(F) 
107.6 °F
Flash Point(C) 
42 °C

Documents

Certificate of Analysis

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Certificate of Origin

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Protocols & Articles
Peer-Reviewed Papers
15

References

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