2-[3-(3-Chlorophenyl)propanoyl]benzonitrile
[CAS# 898762-29-3]

Identification

• Name: 2-[3-(3-Chlorophenyl)propanoyl]benzonitrile
• Synonyms: 3-(3-chlorophenyl)-2'-cyanopropiophenone
• Molecular Formula: C₁₆H₁₂ClNO
• Molecular Weight: 269.73
• CAS Registry Number: 898762-29-3
• SMILES: Clc2cc(CCC(=O)c1ccccc1C#N)ccc2
• InChI: 1S/C16H12ClNO/c17-14-6-3-4-12(10-14)8-9-16(19)15-7-2-1-5-13(15)11-18/h1-7,10H,8-9H2
• InChIKey: BJERNBTWZYRMSD-UHFFFAOYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 452.059°C at 760 mmHg (Cal.)
• Flash point: 227.197°C (Cal.)
• Refractive index: 1.605 (Cal.)