1-Methyl-3-phenyl-1H-1,2,4-triazole-5-carboxylic acid
[CAS# 90145-38-3]

Identification

• Name: 1-Methyl-3-phenyl-1H-1,2,4-triazole-5-carboxylic acid
• Synonyms: 2-METHYL-5-PHENYL-2H-[1,2,4]TRIAZOLE-3-CARBOXYLICACID
• Molecular Formula: C₁₀H₉N₃O₂
• Molecular Weight: 203.20
• CAS Registry Number: 90145-38-3
• SMILES: CN1C(=NC(=N1)C2=CC=CC=C2)C(=O)O
• InChI: 1S/C10H9N3O2/c1-13-9(10(14)15)11-8(12-13)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15)
• InChIKey: BTONEZRMSCZUDO-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 454.3±28.0°C at 760 mmHg (Cal.)
• Flash point: 228.6±24.0°C (Cal.)