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MilliporeSigma

115622

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
NACRES:
NA.22
PubChem Substance ID:
24847231
eCl@ss:
39050680
UNSPSC Code:
12352100
EC Number:
210-765-4
MDL number:
MFCD00001813
Beilstein/REAXYS Number:
1072122
Assay:
99%
Form:
solid

Key Documents

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InChI

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

InChI key

GJNGXPDXRVXSEH-UHFFFAOYSA-N

SMILES string

Clc1ccc(cc1)C#N

assay

99%

form

solid

bp

223 °C (lit.)

mp

90-93 °C (lit.)

functional group

chloro, nitrile

Quality Level

100

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This Item
C24809C24795519596
4-Chlorobenzonitrile 99%

Sigma-Aldrich

115622

4-Chlorobenzonitrile

3-Chlorobenzonitrile 99%

Sigma-Aldrich

C24809

3-Chlorobenzonitrile

2-Chlorobenzonitrile 98%

Sigma-Aldrich

C24795

2-Chlorobenzonitrile

4-Amino-3-chlorobenzonitrile 97%

Sigma-Aldrich

519596

4-Amino-3-chlorobenzonitrile

assay

99%

assay

99%

assay

98%

assay

97%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

bp

223 °C (lit.)

bp

-

bp

232 °C (lit.)

bp

-

form

solid

form

crystals

form

crystals

form

solid

mp

90-93 °C (lit.)

mp

38-40 °C (lit.)

mp

43-46 °C (lit.)

mp

102-105 °C (lit.)

functional group

chloro

functional group

-

functional group

-

functional group

chloro, nitrile

Application

4-Chlorobenzonitrile has been used in the preparation of amides[1].

pictograms

Exclamation mark
GHS07

signalword

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

11 - Combustible Solids

wgk

WGK 2

flash_point_f

226.4 °F

flash_point_c

108 °C

ppe

dust mask type N95 (US), Eyeshields, Faceshields, 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
Luca Quattrini et al.
Scientific reports, 9(1), 9943-9943 (2019-07-11)
Melanoma is the most serious form of skin cancer but its medication is still far from being safe and thoroughly effective. The search of novel therapeutic approaches represents therefore a health emergency to push through eagerly. In this study, we

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