(1H-1,2,4-Triazol-1-Ylmethyl)Phosphonic Acid
[CAS# 111911-03-6]

Identification

• Name: (1H-1,2,4-Triazol-1-Ylmethyl)Phosphonic Acid
• Synonyms: ((1H-1,2,4-triazol-1-yl)methyl)phosphonic acid
• Molecular Formula: C₃H₆N₃O₃P
• Molecular Weight: 163.07
• CAS Registry Number: 111911-03-6
• SMILES: c1ncn(n1)CP(=O)(O)O
• InChI: 1S/C3H6N3O3P/c7-10(8,9)3-6-2-4-1-5-6/h1-2H,3H2,(H2,7,8,9)
• InChIKey: JOAHGSXJNUHALK-UHFFFAOYSA-N

Properties

• Density: 1.926g/cm³ (Cal.)
• Boiling point: 483.388°C at 760 mmHg (Cal.)
• Flash point: 246.144°C (Cal.)
• Refractive index: 1.716 (Cal.)