1,1,1-Trifluoro-3-(1H-1,2,4-Triazol-1-Yl)Acetone
[CAS# 522634-27-1]

Identification

• Name: 1,1,1-Trifluoro-3-(1H-1,2,4-Triazol-1-Yl)Acetone
• Synonyms: 1,1,1-trifluoro-3-(1H-1,2,4-triazol-1-yl)propan-2-one; 2-PROPANONE, 1,1,1-TRIFLUORO-3-(1H-1,2,4-TRIAZOL-1-YL)-
• Molecular Formula: C₅H₄F₃N₃O
• Molecular Weight: 179.10
• CAS Registry Number: 522634-27-1
• SMILES: c1ncn(n1)CC(=O)C(F)(F)F
• InChI: 1S/C5H4F3N3O/c6-5(7,8)4(12)1-11-3-9-2-10-11/h2-3H,1H2
• InChIKey: FUJKWHHUGSJIKA-UHFFFAOYSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 231.574°C at 760 mmHg (Cal.)
• Flash point: 93.853°C (Cal.)
• Refractive index: 1.499 (Cal.)