5-Methyl-1H-Benzimidazole-2-Carbonitrile 3-Oxide
[CAS# 118807-84-4]

Identification

• Name: 5-Methyl-1H-Benzimidazole-2-Carbonitrile 3-Oxide
• Synonyms: 2-cyano-5-methyl-1H-benzo[d]imidazole 3-oxide
• Molecular Formula: C₉H₇N₃O
• Molecular Weight: 173.17
• CAS Registry Number: 118807-84-4
• SMILES: CC1=CC2=C(C=C1)NC(=[N+]2[O-])C#N
• InChI: 1S/C9H7N3O/c1-6-2-3-7-8(4-6)12(13)9(5-10)11-7/h2-4,11H,1H3
• InChIKey: WXIDDVNUCFABKN-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 410.5±38.0°C at 760 mmHg (Cal.)
• Flash point: 202.1±26.8°C (Cal.)
• Refractive index: 1.675 (Cal.)