3-Bromo-4-methylbenzonitrile

• CAS: 42872-74-2
• Catalog Number: ACM42872742
• Category: Bromine Series
• Molecular Weight: 196.04
• Molecular Formula: C8H6BrN
• Synonyms: Benzonitrile, 3-bromo-4-methyl-
• IUPAC Name: 3-bromo-4-methylbenzonitrile
• Canonical SMILES: CC1=C(C=C(C=C1)C#N)Br
• InChI: InChI=1S/C8H6BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
• InChI Key: VXUMRYMTYKDWMO-UHFFFAOYSA-N
• Boiling Point: 259.1±20.0 °C
• Melting Point: 41-45 °C (lit.)
• Density: 1.51±0.1 g/ml