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
• 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

Properties

• 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

Description

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302 + H312,H319,H412
• Precautionary Statements: P264 - P273 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• 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