3-(6-Cyanohexanoyl)benzonitrile
[CAS# 898767-64-1]

Identification

• Name: 3-(6-Cyanohexanoyl)benzonitrile
• Synonyms: 7-(3-cyanophenyl)-7-oxoheptanenitrile
• Molecular Formula: C₁₄H₁₄N₂O
• Molecular Weight: 226.27
• CAS Registry Number: 898767-64-1
• SMILES: N#Cc1cccc(c1)C(=O)CCCCCC#N
• InChI: 1S/C14H14N2O/c15-9-4-2-1-3-8-14(17)13-7-5-6-12(10-13)11-16/h5-7,10H,1-4,8H2
• InChIKey: BPYXJNNUPNNILR-UHFFFAOYSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 440.001°C at 760 mmHg (Cal.)
• Flash point: 219.905°C (Cal.)
• Refractive index: 1.532 (Cal.)