2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone

• Catalog: OFC1546798-1
• CAS: 1546-79-8
• Category: Trifluoromethylation Agents
• Synonyms: 1-(Trifluoroacetyl)Imidazole
• Purity: 98%
• MDL Number: MFCD00014501

• IUPAC Name: 2,2,2-trifluoro-1-imidazol-1-ylethanone
• InChI: InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
• InChI Key: SINBGNJPYWNUQI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CN(C=N1)C(=O)C(F)(F)F
• EC Number: 216-282-5
• Reaxys Registry Number: 608904

• Molecular Formula: C5H3F3N2O
• Molecular Weight: 164.09
• Boiling Point: 83 °C (110 mmHg)
• Flash Point: 45 °C
• Appearance: Colorless to yellow to Orange clear liquid
• Storage: Keep in dark place, inert atmosphere, 2-8 °C
• Stability: Moisture sensitive, Heat sensitive

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 164.01974721 g/mol
• Monoisotopic Mass: 164.01974721 g/mol
• Topological Polar Surface Area: 34.9Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 168

• HS Number: 2933.99.8290