3-[(3-Bromophenyl)acetyl]benzonitrile
[CAS# 898784-12-8]

Identification

• Name: 3-[(3-Bromophenyl)acetyl]benzonitrile
• Synonyms: 2-(3-bromophenyl)-3'-cyanoacetophenone
• Molecular Formula: C₁₅H₁₀BrNO
• Molecular Weight: 300.15
• CAS Registry Number: 898784-12-8
• SMILES: Brc2cc(CC(=O)c1cccc(C#N)c1)ccc2
• InChI: 1S/C15H10BrNO/c16-14-6-2-3-11(8-14)9-15(18)13-5-1-4-12(7-13)10-17/h1-8H,9H2
• InChIKey: NTKNEVRHLMMHCA-UHFFFAOYSA-N

Properties

• Density: 1.479g/cm³ (Cal.)
• Boiling point: 441.315°C at 760 mmHg (Cal.)
• Flash point: 220.699°C (Cal.)
• Refractive index: 1.64 (Cal.)