Description

2-Bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene (CAS No. 234096-31-2) is a highly fluorinated bromoalkene with the molecular formula C₆H₂BrF₉. This specialized organofluorine compound features a unique structure with multiple fluorine substituents, including a trifluoromethyl group, making it a valuable intermediate in advanced synthetic chemistry. Its high degree of fluorination imparts exceptional thermal and chemical stability, as well as lipophilicity, which is critical for applications in pharmaceuticals, agrochemicals, and materials science. The compound is supplied as a high-purity liquid (typically >95% by GC) and should be stored under inert conditions to maintain stability. Due to its reactive bromoalkene moiety, it is particularly useful in cross-coupling reactions, nucleophilic substitutions, and as a building block for fluorinated polymers or small molecules. Researchers should handle this material with care, using appropriate PPE due to potential lachrymatory and irritant properties.

Properties

• CAS Number: 234096-31-2
• Complexity: 287
• IUPAC Name: 2-bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene
• InChI: InChI=1S/C6H2BrF9/c1-2(7)3(8,5(11,12)13)4(9,10)6(14,15)16/h1H2
• InChI Key: KCLFCDSPXJFUKO-UHFFFAOYSA-N
• Exact Mass: 323.91962
• Molecular Formula: C6H2BrF9
• Molecular Weight: 324.97
• SMILES: C=C(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Br
• Monoisotopic Mass: 323.91962
• Synonyms: 2-bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene, 234096-31-2, 2-Bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)-1-pentene, 1-Pentene, 2-bromo-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)-, MFCD00153704, DTXSID90371291, KCLFCDSPXJFUKO-UHFFFAOYSA-N, AKOS007930048, 2-Bromo-3,4,4,5,5,5-hexafluoro-3-trifluoromethyl-1-pentene

Application

This compound serves as a key fluorinated building block in pharmaceutical research, particularly for introducing lipophilic motifs into drug candidates. Its reactivity enables use in palladium-catalyzed cross-coupling reactions to create complex fluorinated architectures. The material finds application in developing specialty polymers with enhanced chemical resistance and low surface energy properties. Researchers also utilize it to synthesize advanced agrochemicals with improved environmental persistence.

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