Methyl 1-(4-Nitrophenyl)-5-Oxo-2,5-Dihydro-1H-1,2,4-Triazole-3-Carboxylate
[CAS# 412314-66-0]

Identification

• Name: Methyl 1-(4-Nitrophenyl)-5-Oxo-2,5-Dihydro-1H-1,2,4-Triazole-3-Carboxylate
• Synonyms: 1-(p-Nitrophenyl)-5-oxo-δ2-1,2,4-triazoline-3-carboxylic acid, methyl ester; 1,2,4-triazole-3-carboxylate; Methyl 2,5-dihydro-1-(4-nitrophenyl)-5-oxo-1H-
• Molecular Formula: C₁₀H₈N₄O₅
• Molecular Weight: 264.19
• CAS Registry Number: 412314-66-0
• SMILES: O=C2/N=C(\NN2c1ccc([N+]([O-])=O)cc1)C(=O)OC
• InChI: 1S/C10H8N4O5/c1-19-9(15)8-11-10(16)13(12-8)6-2-4-7(5-3-6)14(17)18/h2-5H,1H3,(H,11,12,16)
• InChIKey: YPMBLBFIKZJWNS-UHFFFAOYSA-N

Properties

• Density: 1.627g/cm³ (Cal.)
• Boiling point: 414.909°C at 760 mmHg (Cal.)
• Flash point: 204.73°C (Cal.)
• Refractive index: 1.691 (Cal.)