3,1-Benzoxazepine-2-Carbonitrile
[CAS# 18457-80-2]

Identification

• Name: 3,1-Benzoxazepine-2-Carbonitrile
• Molecular Formula: C₁₀H₆N₂O
• Molecular Weight: 170.17
• CAS Registry Number: 18457-80-2
• SMILES: N#C\C1=N\c2ccccc2/C=C\O1
• InChI: 1S/C10H6N2O/c11-7-10-12-9-4-2-1-3-8(9)5-6-13-10/h1-6H
• InChIKey: UCCKBAPZOKCNRY-UHFFFAOYSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 294.096°C at 760 mmHg (Cal.)
• Flash point: 131.665°C (Cal.)
• Refractive index: 1.607 (Cal.)