3,3-Dimethyl-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanone
[CAS# 118089-57-9]

Identification

• Name: 3,3-Dimethyl-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanone
• Synonyms: "3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one"; 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
• Molecular Formula: C₈H₁₃N₃O
• Molecular Weight: 167.21
• CAS Registry Number: 118089-57-9
• SMILES: CC(C)(C)C(=O)CN1C=NC=N1
• InChI: 1S/C8H13N3O/c1-8(2,3)7(12)4-11-6-9-5-10-11/h5-6H,4H2,1-3H3
• InChIKey: FMWWRALTYIWZEB-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 283.3±42.0°C at 760 mmHg (Cal.)
• Flash point: 125.1±27.9°C (Cal.)
• Refractive index: 1.537 (Cal.)