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B58407

Sigma-Aldrich

4-Bromobenzonitrile

99%

Synonym(s):

1-Bromo-4-benzonitrile, 1-Bromo-4-cyanobenzene, 1-Cyano-4-bromobenzene, 4-Bromocyanobenzene, 4-Bromophenyl cyanide, 4-Bromophenylcarbonitrile

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About This Item

Linear Formula:
BrC6H4CN
CAS Number:
623-00-7
Molecular Weight:
182.02
Beilstein/REAXYS Number:
2041518
EC Number:
210-764-9
MDL number:
MFCD00001811
UNSPSC Code:
12352100
PubChem Substance ID:
24891868
NACRES:
NA.22

Quality Level

200

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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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
GHS07

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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