3-[3-(4-Chlorophenyl)propanoyl]benzonitrile
[CAS# 898787-68-3]

Identification

• Name: 3-[3-(4-Chlorophenyl)propanoyl]benzonitrile
• Synonyms: 3-(4-chlorophenyl)-3'-cyanopropiophenone
• Molecular Formula: C₁₆H₁₂ClNO
• Molecular Weight: 269.73
• CAS Registry Number: 898787-68-3
• SMILES: Clc2ccc(CCC(=O)c1cccc(C#N)c1)cc2
• InChI: 1S/C16H12ClNO/c17-15-7-4-12(5-8-15)6-9-16(19)14-3-1-2-13(10-14)11-18/h1-5,7-8,10H,6,9H2
• InChIKey: ZZDLFKPMFVICOJ-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.)