Methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate 4-oxide
[CAS# 80494-20-8]

Identification

• Name: Methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate 4-oxide
• Synonyms: 5-(methoxycarbonyl)-3-nitro-1H-1,2,4-triazole 4-oxide
• Molecular Formula: C₄H₄N₄O₅
• Molecular Weight: 188.10
• CAS Registry Number: 80494-20-8
• SMILES: COC(=O)C1=[N+](C(=NN1)[N+](=O)[O-])[O-]
• InChI: 1S/C4H4N4O5/c1-13-3(9)2-5-6-4(7(2)10)8(11)12/h5H,1H3
• InChIKey: BEKOOIQLKWHLJG-UHFFFAOYSA-N

Properties

• Density: 2.0±0.1g/cm³ (Cal.)
• Boiling point: 492.5±28.0°C at 760 mmHg (Cal.)
• Flash point: 251.7±24.0°C (Cal.)