3-Amino-1,2-benzoxazole-4-carbonitrile
[CAS# 657348-76-0]

Identification

• Name: 3-Amino-1,2-benzoxazole-4-carbonitrile
• Synonyms: 3-aminobenzo[d]isoxazole-4-carbonitrile
• Molecular Formula: C₈H₅N₃O
• Molecular Weight: 159.14
• CAS Registry Number: 657348-76-0
• SMILES: C1=CC(=C2C(=C1)ON=C2N)C#N
• InChI: 1S/C8H5N3O/c9-4-5-2-1-3-6-7(5)8(10)11-12-6/h1-3H,(H2,10,11)
• InChIKey: MTISCUPSUHVTIM-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 408.5±25.0°C at 760 mmHg (Cal.)
• Flash point: 200.9±23.2°C (Cal.)
• Refractive index: 1.683 (Cal.)