4-(6-Cyanohexanoyl)benzonitrile
[CAS# 898767-54-9]

Identification

• Name: 4-(6-Cyanohexanoyl)benzonitrile
• Synonyms: 7-(4-cyanophenyl)-7-oxoheptanenitrile
• Molecular Formula: C₁₄H₁₄N₂O
• Molecular Weight: 226.27
• CAS Registry Number: 898767-54-9
• SMILES: N#Cc1ccc(cc1)C(=O)CCCCCC#N
• InChI: 1S/C14H14N2O/c15-10-4-2-1-3-5-14(17)13-8-6-12(11-16)7-9-13/h6-9H,1-5H2
• InChIKey: TUVNSXKUZCLSIB-UHFFFAOYSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 448.656°C at 760 mmHg (Cal.)
• Flash point: 225.139°C (Cal.)
• Refractive index: 1.532 (Cal.)