4-[(3-Bromophenyl)acetyl]benzonitrile
[CAS# 898784-13-9]

Identification

• Name: 4-[(3-Bromophenyl)acetyl]benzonitrile
• Synonyms: 2-(3-bromophenyl)-4'-cyanoacetophenone
• Molecular Formula: C₁₅H₁₀BrNO
• Molecular Weight: 300.15
• CAS Registry Number: 898784-13-9
• SMILES: Brc2cc(CC(=O)c1ccc(C#N)cc1)ccc2
• InChI: 1S/C15H10BrNO/c16-14-3-1-2-12(8-14)9-15(18)13-6-4-11(10-17)5-7-13/h1-8H,9H2
• InChIKey: QVVXLXHELFIZSV-UHFFFAOYSA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 460.775°C at 760 mmHg (Cal.)
• Flash point: 232.469°C (Cal.)
• Refractive index: 1.64 (Cal.)