284513

Sigma-Aldrich

Chlorobenzene

anhydrous, 99.8%

Empirical Formula (Hill Notation):
C6H5Cl
CAS Number:
Molecular Weight:
112.56
Beilstein/REAXYS Number:
605632
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

grade

anhydrous

vapor density

3.86 (vs air)

vapor pressure

11.8 mmHg ( 25 °C)

assay

99.8%

form

liquid

autoignition temp.

1178 °F

expl. lim.

7.1 %

impurities

<0.005% water

evapn. residue

<0.0005%

refractive index

n20/D 1.524 (lit.)

bp

132 °C (lit.)

mp

−45 °C (lit.)

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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Related Categories

Application

Chlorobenzene may be used in the arylation of 2-isobutylthiazole in the presence of palladium (II) acetate-butyldi-1-adamantylphosphine to form 5-phenyl-2-isobutylthiazole. It may also be used as a solvent for the synthesis of rhodium II tetrakis(triphenylacetate) dimer, an efficient rhodium catalyst for nitrene C-H insertion reactions.

Packaging

1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Other Notes

The article number 284513-6X1L will be discontinued. Please order the single bottle 284513-1L which is physically identical with the same exact specifications.

Signal Word

Warning

Hazard Statements

hazcat

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

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 2

Flash Point(F)

80.6 °F

Flash Point(C)

27 °C

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Palladium (II) acetate-butyldi-1-adamantylphosphine catalyzed arylation of electron-rich heterocycles. preparation of 5-phenyl-2-isobutylthiazole.
Organic Syntheses, 89, 105-105 (2009)
Preparation of 4-spirocyclohexyloxazolidinone by C-H bond nitrene insertion
Huard K and Lebel H
Organic Syntheses, 86, 59-59 (2009)
K. Huard and H. Lebel,
Organic Syntheses, 86, 59-69 (2009)
Efficient recyclable organic solar cells on cellulose nanocrystal substrates with a conducting polymer top electrode deposited by film-transfer lamination.
Zhou Y, et al.
Organic Electronics, 15(3), 661-666 (2014)
Eagleson M.
Concise Encyclopedia Chemistry, 74-74 (1994)

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