Description

2-Bromo-1-(pentafluorophenyl)ethan-1-one (CAS No. 5122-16-7) is a high-purity fluorinated organic compound with the molecular formula C₈H₂BrF₅O. This specialized reagent features a pentafluorophenyl group coupled with a bromoacetyl moiety, making it a valuable building block in synthetic chemistry, particularly for nucleophilic substitution reactions and the preparation of advanced fluorinated intermediates. Its IUPAC name is 2-bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone, and it is also known as Pentafluorophenacyl bromide. This compound is supplied as a crystalline solid with >95% purity (GC), ensuring consistency for research applications. Ideal for pharmaceutical, agrochemical, and materials science research, it is packaged under inert conditions to maintain stability. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 5122-16-7
• Complexity: 235
• IUPAC Name: 2-bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone
• InChI: InChI=1S/C8H2BrF5O/c9-1-2(15)3-4(10)6(12)8(14)7(13)5(3)11/h1H2
• InChI Key: CIYHGZNFDGHGDK-UHFFFAOYSA-N
• Exact Mass: 287.92092
• Molecular Formula: C8H2BrF5O
• Molecular Weight: 289.00
• SMILES: C(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)Br
• Topological: 17.1
• Monoisotopic Mass: 287.92092
• Synonyms: 5122-16-7, DTXSID70379755, 2-bromo-1-(pentafluorophenyl)ethan-1-one, DTXCID30330781, Pentafluorophenacyl bromide, (Bromoacetyl)pentafluorobenzene, 2-bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone, 2-Bromo-1-(perfluorophenyl)ethanone, 2,3,4,5,6-pentafluorophenacyl bromide, 2-Bromo-2′,3′,4′,5′,6′-pentafluoroacetophenone, MFCD00484757, (pentafluorobenzoyl)bromomethane, SCHEMBL1481978, CIYHGZNFDGHGDK-UHFFFAOYSA-N, AKOS008901434, 2-Bromo-1-(perfluorophenyl)ethan-1-one, BS-23821, CS-0206660, ST51040074, 1-(2,3,4,5,6-pentafluorophenyl)-2-bromo-1-ethanone, 2-bromo-1-(2,3,4,5,6-pentafluorophenyl)ethan-1-one

Application

2-Bromo-1-(pentafluorophenyl)ethan-1-one is widely used as a key intermediate in the synthesis of fluorinated heterocycles and bioactive molecules. Its reactivity enables efficient incorporation of pentafluorophenyl groups into complex architectures, enhancing lipophilicity and metabolic stability in drug discovery. The compound is also employed in materials science for modifying surfaces or polymers with fluorine-rich motifs. Researchers utilize it in cross-coupling reactions and as a precursor for fluorescent probes due to its electron-withdrawing properties.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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