Description

5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid (CAS No. 232602-79-8) is a highly specialized fluorinated organic compound with the molecular formula C₅H₅BrClF₃O₂. This halogenated pentanoic acid derivative is designed for advanced research applications, particularly in pharmaceutical development, agrochemical synthesis, and material science. The compound features a unique combination of bromo, chloro, and trifluoro substitutions, offering exceptional reactivity for selective functionalization. With a molecular weight of 260.44 g/mol, this reagent is supplied as a high-purity solid (typically >95% by HPLC) and should be stored under inert conditions at 2-8°C to maintain stability. Ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for complex fluorinated architectures.

Properties

• CAS Number: 232602-79-8
• Complexity: 190
• IUPAC Name: 5-bromo-4-chloro-4,5,5-trifluoro-pentanoic acid
• InChI: InChI=1S/C5H5BrClF3O2/c6-5(9,10)4(7,8)2-1-3(11)12/h1-2H2,(H,11,12)
• InChI Key: FLKLWPCROADJHL-UHFFFAOYSA-N
• Exact Mass: 267.91135
• Molecular Formula: C5H5BrClF3O2
• Molecular Weight: 269.44
• SMILES: C(CC(C(F)(F)Br)(F)Cl)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 267.91135
• Synonyms: 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid, 232602-79-8, Pentanoic acid, 5-bromo-4-chloro-4,5,5-trifluoro-, SCHEMBL6322207, DTXSID60371228, FLKLWPCROADJHL-UHFFFAOYSA-N, MFCD00153680, AKOS015833890, DB-046116, CS-0333527, A816649, 5-bromanyl-4-chloranyl-4,5,5-tris(fluoranyl)pentanoic acid, 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid, AldrichCPR

Application

This fluorinated bromo-chloro acid serves as a versatile intermediate in medicinal chemistry for the synthesis of bioactive molecules targeting enzyme inhibition. Researchers utilize its reactive halogen sites for palladium-catalyzed cross-coupling reactions in drug discovery programs. The compound’s unique fluorine pattern makes it valuable for developing PET radiotracers and studying metabolic pathways. In material science, it functions as a precursor for fluorinated polymers with enhanced thermal and chemical resistance.

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