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101389

Sigma-Aldrich

Chlorobenzene

ReagentPlus®, 99%

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About This Item

Empirical Formula (Hill Notation):
C6H5Cl
CAS Number:
108-90-7
Molecular Weight:
112.56
Beilstein/REAXYS Number:
605632
EC Number:
203-628-5
MDL number:
MFCD00000530
UNSPSC Code:
12352101
PubChem Substance ID:
329748963
NACRES:
NA.04

vapor density

3.86 (vs air)

Quality Level

100

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

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Warning

Hazard Classifications

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

wgk_germany

WGK 2

flash_point_f

80.6 °F

flash_point_c

27 °C

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Eagleson M.
Concise Encyclopedia Chemistry, 302-302 (1994)
Eagleson M.
Concise Encyclopedia Chemistry, 6-6 (1994)
Catalysts based on pillared clays for the oxidation of chlorobenzene.
Aznarez A, et al.
Catalysis Today, 246, 15-27 (2015)
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