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B58407

Sigma-Aldrich

4-Bromobenzonitrile

99%

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Synonym(s):
1-Bromo-4-benzonitrile, 1-Bromo-4-cyanobenzene, 1-Cyano-4-bromobenzene, 4-Bromocyanobenzene, 4-Bromophenyl cyanide, 4-Bromophenylcarbonitrile
Linear Formula:
BrC6H4CN
CAS Number:
Molecular Weight:
182.02
Beilstein/REAXYS Number:
2041518
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

form

solid

bp

235-237 °C (lit.)

mp

110-115 °C (lit.)

SMILES string

Brc1ccc(cc1)C#N

InChI

1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H

InChI key

HQSCPPCMBMFJJN-UHFFFAOYSA-N

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1 of 4

This Item
173606131482H41544
4-Bromobenzonitrile 99%

B58407

4-Bromobenzonitrile

4-Ethoxybenzaldehyde 99%

173606

4-Ethoxybenzaldehyde

4-Phenylthiosemicarbazide 99%

131482

4-Phenylthiosemicarbazide

4-Hydroxy-4-methyl-2-pentanone 99%

H41544

4-Hydroxy-4-methyl-2-pentanone

Quality Level

200

Quality Level

-

Quality Level

-

Quality Level

200

bp

235-237 °C (lit.)

bp

255 °C (lit.)

bp

-

bp

166 °C (lit.)

mp

110-115 °C (lit.)

mp

13-14 °C (lit.)

mp

138-140 °C (lit.)

mp

-

form

solid

form

liquid

form

solid

form

liquid

Application

4-Bromobenzonitrile has been used in the synthesis of 4-iodobenzonitrile via photo-induced aromatic Finkelstein iodination reaction. It can also be used as an aryl halide test compound in developing greener reaction conditions for Suzuki cross-coupling between aryl halides and phenyl boronic acid.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2

Storage Class

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves


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Photo-induced iodination of aryl halides under very mild conditions.
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