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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:
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

Signal Word

Warning

Hazard Statements

H302 + H312,H319,H412

Hazard Classifications

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

Storage Class Code

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

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, 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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Applied Organometallic Chemistry (2018)
Photo-induced iodination of aryl halides under very mild conditions.
Li L
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