1-[3-(2-Methyl-2-Propanyl)-1H-1,2,4-Triazol-1-Yl]Ethanone
[CAS# 132408-61-8]

Identification

• Name: 1-[3-(2-Methyl-2-Propanyl)-1H-1,2,4-Triazol-1-Yl]Ethanone
• Synonyms: 1-(3-(tert-butyl)-1H-1,2,4-triazol-1-yl)ethanone
• Molecular Formula: C₈H₁₃N₃O
• Molecular Weight: 167.21
• CAS Registry Number: 132408-61-8
• SMILES: CC(C)(C)c1ncn(n1)C(=O)C
• InChI: 1S/C8H13N3O/c1-6(12)11-5-9-7(10-11)8(2,3)4/h5H,1-4H3
• InChIKey: KAZOBOKFWLCEGB-UHFFFAOYSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 286.59°C at 760 mmHg (Cal.)
• Flash point: 127.125°C (Cal.)
• Refractive index: 1.537 (Cal.)