3-(3-Cyanopropanoyl)benzonitrile
[CAS# 898767-58-3]

Identification

• Name: 3-(3-Cyanopropanoyl)benzonitrile
• Synonyms: 4-(3-Cyanophenyl)-4-oxobutyronitrile
• Molecular Formula: C₁₁H₈N₂O
• Molecular Weight: 184.19
• CAS Registry Number: 898767-58-3
• SMILES: N#Cc1cccc(c1)C(=O)CCC#N
• InChI: 1S/C11H8N2O/c12-6-2-5-11(14)10-4-1-3-9(7-10)8-13/h1,3-4,7H,2,5H2
• InChIKey: SDPJAKLACDFQBS-UHFFFAOYSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 404.261°C at 760 mmHg (Cal.)
• Flash point: 198.29°C (Cal.)
• Refractive index: 1.55 (Cal.)