4-(4-Methylphenyl)-5-nitro-1H-1,2,3-triazole
[CAS# 807345-86-4]

Identification

• Name: 4-(4-Methylphenyl)-5-nitro-1H-1,2,3-triazole
• Synonyms: 5-nitro-4-(p-tolyl)-1H-1,2,3-triazole
• Molecular Formula: C₉H₈N₄O₂
• Molecular Weight: 204.19
• CAS Registry Number: 807345-86-4
• SMILES: [O-][N+](=O)c2nnnc2c1ccc(C)cc1
• InChI: 1S/C9H8N4O2/c1-6-2-4-7(5-3-6)8-9(13(14)15)11-12-10-8/h2-5H,1H3,(H,10,11,12)
• InChIKey: CTXCZCYVTUFGBH-UHFFFAOYSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 416.925°C at 760 mmHg (Cal.)
• Flash point: 205.949°C (Cal.)
• Refractive index: 1.634 (Cal.)