Description

1-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)-1H-imidazole (CAS No. 32477-35-3) is a highly specialized fluorinated organic compound with the molecular formula C₇H₃F₇N₂O. This reagent, also known by its IUPAC name 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one, is a versatile building block in synthetic chemistry, particularly for introducing heptafluorobutyryl groups. It exhibits exceptional reactivity due to the electron-withdrawing nature of the perfluorinated chain, making it ideal for acylation reactions. The compound is supplied as a high-purity liquid, ensuring consistency in sensitive applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 32477-35-3
• Complexity: 314
• IUPAC Name: 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-yl-butan-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
• Exact Mass: 264.01335986
• Molecular Formula: C7H3F7N2O
• Molecular Weight: 264.10
• SMILES: C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
• Topological: 34.9
• Monoisotopic Mass: 264.01335986
• Synonyms: 1-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)-1H-imidazole, 251-063-8, n-Heptafluorobutyrylimidazole, 32477-35-3, 1-(Heptafluorobutyryl)imidazole, N-(Heptafluorobutyryl)imidazole, Heptafluorobutyrylimidazole, 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one, 2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)butan-1-one, 1-(Perfluorobutyryl)imidazole, MFCD00014503, 1-(Perfluorobutanoyl)-1H-imidazole, NSC-151966, 1H-Imidazole, 1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, C7H3F7N2O, 2,2,3,3,4,4,4-heptafluoro-1-imidazolylbutan-1-one, EINECS 251-063-8, NSC 151966, AI3-52909, QYQ23V3KJK, 1-Heptafluorobutyrylimidazole, N-Heptafluorobutyroylimidazole, SCHEMBL999664, DTXSID40186211, N-(Heptafluoro-n-butyryl)imidazole, BCP34072, Imidazole, 1-(heptafluorobutyryl)-, N-Heptafluorobutyrylimidazole, 97%, NSC151966, SBB102752, AKOS005254282, CS-W014058, PS-11103, SY027465, DB-048223, H0467, NS00018939, ST51037540, 2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)-1-butanone, N-Heptafluorobutyrylimidazole, for GC derivatization, >=98.5% (GC), 1-(Heptafluorobutyryl)imidazole, BioReagent, suitable for derivatization, 1-(Heptafluorobutyryl)imidazole;2,2,3,3,4,4,4-Heptafluoro-1-(1H-imidazol-1-yl)butan-1-one

Application

1-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutyl)-1H-imidazole is widely used as a derivatization agent in GC-MS analysis, enhancing the detectability of analytes. It serves as a key intermediate in pharmaceutical synthesis, particularly for fluorinated APIs. The compound’s reactivity also makes it valuable in materials science for modifying surface properties of polymers.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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