B58407
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:
Molecular Weight:
182.02
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-764-9
Beilstein/REAXYS Number:
2041518
MDL number:
Assay:
99%
Form:
solid
Quality Segment
assay
99%
form
solid
bp
235-237 °C (lit.)
mp
110-115 °C (lit.)
functional group
bromo, nitrile
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
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.
signalword
Warning
hcodes
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
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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