3-Amino-2,1-benzoxazole-5-carbonitrile
[CAS# 94144-41-9]

Identification

• Name: 3-Amino-2,1-benzoxazole-5-carbonitrile
• Synonyms: 3-aminobenzo[c]isoxazole-5-carbonitrile
• Molecular Formula: C₈H₅N₃O
• Molecular Weight: 159.14
• CAS Registry Number: 94144-41-9
• SMILES: C1=CC2=NOC(=C2C=C1C#N)N
• InChI: 1S/C8H5N3O/c9-4-5-1-2-7-6(3-5)8(10)12-11-7/h1-3H,10H2
• InChIKey: FGOZHSVITQQCEE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 416.2±25.0°C at 760 mmHg (Cal.)
• Flash point: 205.5±23.2°C (Cal.)