3-(5-Chloropentanoyl)benzonitrile
[CAS# 898786-72-6]

Identification

• Name: 3-(5-Chloropentanoyl)benzonitrile
• Synonyms: 5-chloro-1-(3-cyanophenyl)-1-oxopentane
• Molecular Formula: C₁₂H₁₂ClNO
• Molecular Weight: 221.68
• CAS Registry Number: 898786-72-6
• SMILES: N#Cc1cccc(c1)C(=O)CCCCCl
• InChI: 1S/C12H12ClNO/c13-7-2-1-6-12(15)11-5-3-4-10(8-11)9-14/h3-5,8H,1-2,6-7H2
• InChIKey: KCHVCEPXZXVKGG-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 374.338°C at 760 mmHg (Cal.)
• Flash point: 180.193°C (Cal.)
• Refractive index: 1.535 (Cal.)