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101389

Sigma-Aldrich

Chlorobenzene

ReagentPlus®, 99%

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Empirical Formula (Hill Notation):
C6H5Cl
CAS Number:
Molecular Weight:
112.56
Beilstein:
605632
EC Number:
MDL number:
UNSPSC Code:
12352101
PubChem Substance ID:
NACRES:
NA.04

vapor density

3.86 (vs air)

Quality Level

vapor pressure

11.8 mmHg ( 25 °C)

product line

ReagentPlus®

Assay

99%

form

liquid

autoignition temp.

1178 °F

expl. lim.

7.1 %

refractive index

n20/D 1.524 (lit.)

pH

7

bp

132 °C (lit.)

mp

−45 °C (lit.)

solubility

water: soluble 0.207 g/L at 20 °C

density

1.106 g/mL at 25 °C (lit.)

SMILES string

Clc1ccccc1

InChI

1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H

InChI key

MVPPADPHJFYWMZ-UHFFFAOYSA-N

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Application

Chlorobenzene may be used in the synthesis of :
  • DDT (Dichlorodiphenyltrichloroethane)
  • acetophenetidin
  • DL-erythrose derivatives, which allows to convert pollutants to synthetically useful chiral intermediates
  • ortho/para-nitrochlorobenzenes and aniline

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Flam. Liq. 3 - Skin Irrit. 2

WGK

WGK 2

Flash Point(F)

80.6 °F

Flash Point(C)

27 °C

Regulatory Information

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"An enantiodivergent approach to D-and L-erythrose via microbial oxidation of chlorobenzene"
Hudlicky T, et al.
Tetrahedron Letters, 30(31), 4053-4054 (1989)
Cheremisinoff.PN
Industrial Solvents Handbook, Revised And Expanded Chemical Industries, (2) (2003)
Catalysts based on pillared clays for the oxidation of chlorobenzene.
Aznarez A, et al.
Catalysis Today, 246, 15-27 (2015)
Eagleson M.
Concise Encyclopedia Chemistry, 302-302 (1994)
Eagleson M.
Concise Encyclopedia Chemistry, 6-6 (1994)

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