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Merck

284513

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
UNSPSC Code:
12352101
NACRES:
NA.21
PubChem Substance ID:
57648304
EC Number:
203-628-5
Beilstein/REAXYS Number:
605632
MDL number:
MFCD00000530
Assay:
99.8%
Grade:
anhydrous
Bp:
132 °C (lit.)
Vapor pressure:
11.8 mmHg ( 25 °C)

Key Documents

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Product Name

Chlorobenzene, anhydrous, 99.8%

InChI key

MVPPADPHJFYWMZ-UHFFFAOYSA-N

InChI

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

SMILES string

Clc1ccccc1

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.)

Quality Level

100

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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

WGK 2

flash_point_f

80.6 °F

flash_point_c

27 °C

ppe

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

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.

Class I Designated Chemical Substances

prtr

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

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

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

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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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