3-Methyl-2,1-Benzoxazole-5-Carbonitrile
[CAS# 180343-64-0]

Identification

• Name: 3-Methyl-2,1-Benzoxazole-5-Carbonitrile
• Synonyms: 3-methylbenzo[c]isoxazole-5-carbonitrile
• Molecular Formula: C₉H₆N₂O
• Molecular Weight: 158.16
• CAS Registry Number: 180343-64-0
• SMILES: CC1=C2C=C(C=CC2=NO1)C#N
• InChI: 1S/C9H6N2O/c1-6-8-4-7(5-10)2-3-9(8)11-12-6/h2-4H,1H3
• InChIKey: OBUFRNZDQDRNCG-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 327.5±22.0°C at 760 mmHg (Cal.)
• Flash point: 151.8±22.3°C (Cal.)
• Refractive index: 1.615 (Cal.)