6-Nitro-1H-Benzimidazole-1-Carbonitrile
[CAS# 502159-17-3]

Identification

• Name: 6-Nitro-1H-Benzimidazole-1-Carbonitrile
• Synonyms: 6-nitro-1H-benzo[d]imidazole-1-carbonitrile
• Molecular Formula: C₈H₄N₄O₂
• Molecular Weight: 188.14
• CAS Registry Number: 502159-17-3
• SMILES: c1cc2c(cc1[N+](=O)[O-])n(cn2)C#N
• InChI: 1S/C8H4N4O2/c9-4-11-5-10-7-2-1-6(12(13)14)3-8(7)11/h1-3,5H
• InChIKey: KLHVAPFDIBFMGU-UHFFFAOYSA-N

Properties

• Density: 1.542g/cm³ (Cal.)
• Boiling point: 408.189°C at 760 mmHg (Cal.)
• Flash point: 200.666°C (Cal.)
• Refractive index: 1.734 (Cal.)