3-(4-Cyanobutanoyl)benzonitrile
[CAS# 898767-60-7]

Identification

• Name: 3-(4-Cyanobutanoyl)benzonitrile
• Synonyms: 5-(3-cyanophenyl)-5-oxovaleronitrile
• Molecular Formula: C₁₂H₁₀N₂O
• Molecular Weight: 198.22
• CAS Registry Number: 898767-60-7
• SMILES: N#Cc1cccc(c1)C(=O)CCCC#N
• InChI: 1S/C12H10N2O/c13-7-2-1-6-12(15)11-5-3-4-10(8-11)9-14/h3-5,8H,1-2,6H2
• InChIKey: YNEOODHLLFNBGN-UHFFFAOYSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 416.036°C at 760 mmHg (Cal.)
• Flash point: 205.412°C (Cal.)
• Refractive index: 1.543 (Cal.)