3-[3-(3-Chlorophenyl)propanoyl]benzonitrile
[CAS# 898762-32-8]

Identification

• Name: 3-[3-(3-Chlorophenyl)propanoyl]benzonitrile
• Synonyms: 3-(3-chlorophenyl)-3'-cyanopropiophenone
• Molecular Formula: C₁₆H₁₂ClNO
• Molecular Weight: 269.73
• CAS Registry Number: 898762-32-8
• SMILES: Clc2cc(CCC(=O)c1cccc(C#N)c1)ccc2
• InChI: 1S/C16H12ClNO/c17-15-6-2-3-12(10-15)7-8-16(19)14-5-1-4-13(9-14)11-18/h1-6,9-10H,7-8H2
• InChIKey: NVXSWVFKHNTWBO-UHFFFAOYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 444.757°C at 760 mmHg (Cal.)
• Flash point: 222.781°C (Cal.)
• Refractive index: 1.605 (Cal.)