N-Heptafluorobutyrylimidazole

• CAS: 32477-35-3
• Catalog Number: ACM32477353
• Category: Acylation Reagents
• Molecular Weight: 264.1
• Molecular Formula: C7H3F7N2O
• Synonyms: 1-(Perfluorobutyryl)imidazole, NSC 151966
• IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one
• SMILES: C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
• 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
• Boiling Point: 161 °C (lit.)
• Melting Point: 41895ºC
• Flash Point: 77ºC
• Density: 1.49
• Appearance: clear, colorless liquid
• Complexity: 314
• Covalently-Bonded Unit Count: 1
• EC Number: 251-063-8
• Exact Mass: 264.01335986g/mol
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 9
• H-Bond Donor: 0
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 9
• Monoisotopic Mass: 264.01335986g/mol
• NSC Number: 151966
• Physical State: Liquid
• Rotatable Bond Count: 2
• Safety Description: S26-S36
• Topological Polar Surface Area: 34.9Ų
• WGK Germany: 3
• XLogP3: 2.4

Synthetic Use

Downstream Synthesis Route 1

• 16502-01-5
• 32477-35-3

• 83310-21-8

Reference: [1]Johnson, Jodie V.; Yost, Richard A.; Faull, Kym F.
[Analytical Chemistry, 1984, vol. 56, # 9, p. 1655 - 1661]

Downstream Synthesis Route 2

• 2506-10-7
• 32477-35-3

• 83310-24-1

Reference: [1]Johnson, Jodie V.; Yost, Richard A.; Faull, Kym F.
[Analytical Chemistry, 1984, vol. 56, # 9, p. 1655 - 1661]

* For details of the synthesis route, please refer to the original source to ensure accuracy.