3-(7-Chloroheptanoyl)benzonitrile
[CAS# 898786-76-0]

Identification

• Name: 3-(7-Chloroheptanoyl)benzonitrile
• Synonyms: 7-chloro-1-(3-cyanophenyl)-1-oxoheptane
• Molecular Formula: C₁₄H₁₆ClNO
• Molecular Weight: 249.74
• CAS Registry Number: 898786-76-0
• SMILES: N#Cc1cccc(c1)C(=O)CCCCCCCl
• InChI: 1S/C14H16ClNO/c15-9-4-2-1-3-8-14(17)13-7-5-6-12(10-13)11-16/h5-7,10H,1-4,8-9H2
• InChIKey: DTEWSADGBKJKNW-UHFFFAOYSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 398.446°C at 760 mmHg (Cal.)
• Flash point: 194.774°C (Cal.)
• Refractive index: 1.527 (Cal.)