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284513

Sigma-Aldrich

Chlorobenzene

anhydrous, 99.8%

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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:
57648304
NACRES:
NA.21

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

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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.

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Warning

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

80.6 °F

flash_point_c

27 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBK8521
STBK7035
STBK4791
SHBN6640
STBK2017

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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)
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