4-(7-Chloroheptanoyl)benzonitrile
[CAS# 898786-22-6]

Identification

• Name: 4-(7-Chloroheptanoyl)benzonitrile
• Synonyms: 7-chloro-1-(4-cyanophenyl)-1-oxoheptane
• Molecular Formula: C₁₄H₁₆ClNO
• Molecular Weight: 249.74
• CAS Registry Number: 898786-22-6
• SMILES: N#Cc1ccc(cc1)C(=O)CCCCCCCl
• InChI: 1S/C14H16ClNO/c15-10-4-2-1-3-5-14(17)13-8-6-12(11-16)7-9-13/h6-9H,1-5,10H2
• InChIKey: WPZQSCWEQUTGQR-UHFFFAOYSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 412.399°C at 760 mmHg (Cal.)
• Flash point: 203.212°C (Cal.)
• Refractive index: 1.527 (Cal.)