5-Methoxy-1H-Benzimidazole-2-Carbonitrile 3-Oxide
[CAS# 118807-85-5]

Identification

• Name: 5-Methoxy-1H-Benzimidazole-2-Carbonitrile 3-Oxide
• Synonyms: 2-cyano-5-methoxy-1H-benzo[d]imidazole 3-oxide
• Molecular Formula: C₉H₇N₃O₂
• Molecular Weight: 189.17
• CAS Registry Number: 118807-85-5
• SMILES: COC1=CC2=C(C=C1)NC(=[N+]2[O-])C#N
• InChI: 1S/C9H7N3O2/c1-14-6-2-3-7-8(4-6)12(13)9(5-10)11-7/h2-4,11H,1H3
• InChIKey: LLMLEAOPLRQGCI-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 435.1±37.0°C at 760 mmHg (Cal.)
• Flash point: 217.0±26.5°C (Cal.)
• Refractive index: 1.657 (Cal.)