1-(4-Methylphenyl)-2-(1H-1,2,4-Triazol-1-Yl)Ethanone
[CAS# 58905-20-7]

Identification

• Name: 1-(4-Methylphenyl)-2-(1H-1,2,4-Triazol-1-Yl)Ethanone
• Synonyms: 1-(4-METHYLPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)-ETHANONE; IFLab1_000894; ZINC00175028
• Molecular Formula: C₁₁H₁₁N₃O
• Molecular Weight: 201.22
• CAS Registry Number: 58905-20-7
• SMILES: CC1=CC=C(C=C1)C(=O)CN2C=NC=N2
• InChI: 1S/C11H11N3O/c1-9-2-4-10(5-3-9)11(15)6-14-8-12-7-13-14/h2-5,7-8H,6H2,1H3
• InChIKey: ZFWAVFITNQYLMB-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 399.1±44.0°C at 760 mmHg (Cal.)
• Flash point: 195.2±28.4°C (Cal.)