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115622

Sigma-Aldrich

4-Chlorobenzonitrile

99%

Synonym(s):

1-Chloro-4-benzonitrile, 1-Chloro-4-cyanobenzene, 4-Cyanophenyl chloride, p-Chlorobenzonitrile

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About This Item

Linear Formula:
ClC6H4CN
CAS Number:
623-03-0
Molecular Weight:
137.57
Beilstein:
1072122
EC Number:
210-765-4
MDL number:
MFCD00001813
UNSPSC Code:
12352100
eCl@ss:
39050680
PubChem Substance ID:
24847231
NACRES:
NA.22

Quality Level

100

Assay

99%

form

solid

bp

223 °C (lit.)

mp

90-93 °C (lit.)

functional group

chloro
nitrile

SMILES string

Clc1ccc(cc1)C#N

InChI

1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H

InChI key

GJNGXPDXRVXSEH-UHFFFAOYSA-N

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Application

4-Chlorobenzonitrile has been used in the preparation of amides.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

226.4 °F

Flash Point(C)

108 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBL3763
STBL2211
STBK5307
STBD5757V
STBB4210V

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Ondrej Kaplan et al.
Applied microbiology and biotechnology, 73(3), 567-575 (2006-10-25)
Aspergillus niger K10 cultivated on 2-cyanopyridine produced high levels of an intracellular nitrilase, which was partially purified (18.6-fold) with a 24% yield. The N-terminal amino acid sequence of the enzyme was highly homologous with that of a putative nitrilase from
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