{5-Chloro-2-[3-(Hydroxymethyl)-4H-1,2,4-Triazol-4-Yl]Phenyl}(Phenyl)Methanone
[CAS# 54041-98-4]

Identification

• Name: {5-Chloro-2-[3-(Hydroxymethyl)-4H-1,2,4-Triazol-4-Yl]Phenyl}(Phenyl)Methanone
• Synonyms: 5-Chloro-2-(3-hydroxymethyl-4H-1,2,4-triazol-4-yl)benzophenone
• Molecular Formula: C₁₆H₁₂ClN₃O₂
• Molecular Weight: 313.74
• CAS Registry Number: 54041-98-4
• SMILES: Clc1cc(c(cc1)n2cnnc2CO)C(=O)c3ccccc3
• InChI: 1S/C16H12ClN3O2/c17-12-6-7-14(20-10-18-19-15(20)9-21)13(8-12)16(22)11-4-2-1-3-5-11/h1-8,10,21H,9H2
• InChIKey: USIICBYEJKAHSY-UHFFFAOYSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 579.201°C at 760 mmHg (Cal.)
• Flash point: 304.09°C (Cal.)