Skip to Content
Merck
All Photos(3)

Key Documents

View All Documentation

Safety Information

284513

Sigma-Aldrich

Chlorobenzene

anhydrous, 99.8%

Sign Into View Organizational & Contract Pricing
All Photos(3)

About This Item

Empirical Formula (Hill Notation):
C6H5Cl
CAS Number:
108-90-7
Molecular Weight:
112.56
Beilstein:
605632
EC Number:
203-628-5
MDL number:
MFCD00000530
UNSPSC Code:
12352101
PubChem Substance ID:
57648304
NACRES:
NA.21
grade:
anhydrous
bp:
132 °C (lit.)
vapor pressure:
11.8 mmHg ( 25 °C)

grade

anhydrous

Quality Level

100

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

Looking for similar products? Visit Product Comparison Guide

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.

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

H226,H315,H332,H411

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

80.6 °F

Flash Point(C)

27 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

284513-6X1L:4548173253725
284513-100ML:4548173129884
284513-VAR:
284513-250ML:4548173910581
284513-1L:4548173129891
284513-BULK:
284513-2L:4548173129907

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBK8521
STBK7035
STBK4791
SHBN6640
STBK2017

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Palladium (II) acetate-butyldi-1-adamantylphosphine catalyzed arylation of electron-rich heterocycles. preparation of 5-phenyl-2-isobutylthiazole.
Organic Syntheses, 89, 105-105 (2009)
K. Huard and H. Lebel,
Organic Syntheses, 86, 59-69 (2009)
Preparation of 4-spirocyclohexyloxazolidinone by C-H bond nitrene insertion
Huard K and Lebel H
Organic Syntheses, 86, 59-59 (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, 302-302 (1994)
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service