N-Heptafluorobutyrylimidazole

• Catalog: OFC32477353-1
• CAS: 32477-35-3
• Category: Perfluoroalkylation Agents
• Synonyms: 1-(Heptafluorobutyryl)Imidazole; N-(Heptafluorobutyryl)Imidazole
• Purity: 98%
• MDL Number: MFCD00014503

• IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one
• InChI: InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H
• InChI Key: MSYHGYDAVLDKCE-UHFFFAOYSA-N
• Isomeric SMILES: C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
• EC Number: 251-063-8

• Molecular Formula: C7H3F7N2O
• Molecular Weight: 264.10
• Melting Point: 9-13 °C
• Boiling Point: 161 °C(lit.)
• Flash Point: 77 °C
• Density: 1.490 g/mL at 25 °C(lit.)
• Specific Gravity: 1.58
• Refractive Index: 1.39
• Appearance: Colorless liquid
• Solubility: Miscible with chloroform and methanol.
• Storage: Keep in dark place, inert atmosphere, 2-8°C
• Stability: Hygroscopic

• XLogP3-AA: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 264.01335986 g/mol
• Monoisotopic Mass: 264.01335986 g/mol
• Topological Polar Surface Area: 34.9Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 314