Description

Bromopentafluoroacetone (CAS No. 815-23-6) is a highly fluorinated organic compound with the molecular formula C₃BrF₅O and IUPAC name 1-bromo-1,1,3,3,3-pentafluoropropan-2-one. This specialized chemical is characterized by its unique bromo- and pentafluoro-substituted acetone structure, making it a valuable reagent in advanced synthetic and industrial applications. Its high reactivity, attributed to the electron-withdrawing effects of the fluorine and bromine substituents, makes it ideal for use as a fluorinating agent, intermediate in organic synthesis, and precursor for high-performance materials. Available in high purity grades, Bromopentafluoroacetone is supplied with comprehensive analytical data (including GC/MS and NMR) to ensure consistency and reliability for research and industrial use. Proper handling under inert conditions is recommended due to its moisture sensitivity and potential reactivity.

Properties

• CAS Number: 815-23-6
• Complexity: 149
• IUPAC Name: 1-bromo-1,1,3,3,3-pentafluoro-propan-2-one
• InChI: InChI=1S/C3BrF5O/c4-2(5,6)1(10)3(7,8)9
• InChI Key: IYDJQZOFWOSTFO-UHFFFAOYSA-N
• Exact Mass: 225.90527
• Molecular Formula: C3BrF5O
• Molecular Weight: 226.93
• SMILES: C(=O)(C(F)(F)F)C(F)(F)Br
• Topological: 17.1
• Monoisotopic Mass: 225.90527
• Synonyms: Bromopentafluoroacetone, 815-23-6, DTXSID70371299, DTXCID80322333, 1-bromo-1,1,3,3,3-pentafluoropropan-2-one, 1-bromo-1,1,3,3,3-pentafluoroacetone, SCHEMBL6408848, IYDJQZOFWOSTFO-UHFFFAOYSA-N, SBB097064, AKOS015833924, 3-bromo-1,1,1,3,3-pentafluoroacetone, AS-81523, DB-056535, CS-0455889, ST51041432, 1-bromo-1,1,3,3,3-pentafluoro-2-propanone, A840152, 1-bromanyl-1,1,3,3,3-pentakis(fluoranyl)propan-2-one

Application

Bromopentafluoroacetone is widely used as a key intermediate in the synthesis of fluorinated organic compounds, particularly in pharmaceuticals and agrochemicals. It serves as a versatile building block for introducing pentafluoroacetone moieties into complex molecules, enhancing their stability and bioactivity. Additionally, this compound is employed in the production of specialty polymers and coatings, where its fluorinated structure imparts exceptional chemical and thermal resistance. Researchers also utilize Bromopentafluoroacetone in the development of advanced materials for electronics and aerospace applications.

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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