Description

5-Bromo-4-chloro-4,5,5-trifluoropent-2-enoic acid (CAS No. 232602-80-1) is a high-purity halogenated fluorinated organic compound with the molecular formula C₅H₃BrClF₃O₂. This specialty chemical is designed for advanced research and industrial applications, offering exceptional reactivity due to its unique combination of bromo, chloro, and trifluoro functional groups. The compound is synthesized under strict quality control to ensure ≥95% purity (HPLC), making it ideal for pharmaceutical intermediates, agrochemical development, and material science research. Available in crystalline or powder form, it is packaged under inert conditions to guarantee stability and longevity. Each batch is accompanied by comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry reports.

Key Features:

• CAS: 232602-80-1
• Molecular Weight: 258.43 g/mol
• Purity: ≥95% (HPLC)
• Storage: -20°C under inert atmosphere
• Synonyms: (E)-5-bromo-4-chloro-4,5,5-trifluoropent-2-enoic acid, MFCD00153683

Properties

• CAS Number: 232602-80-1
• Complexity: 221
• IUPAC Name: (E)-5-bromo-4-chloro-4,5,5-trifluoro-pent-2-enoic acid
• InChI: InChI=1S/C5H3BrClF3O2/c6-5(9,10)4(7,8)2-1-3(11)12/h1-2H,(H,11,12)/b2-1+
• InChI Key: DNFYVWJPGXJDRN-OWOJBTEDSA-N
• Exact Mass: 265.89570
• Molecular Formula: C5H3BrClF3O2
• Molecular Weight: 267.43
• SMILES: C(=C/C(C(F)(F)Br)(F)Cl)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 265.89570
• Synonyms: 5-Bromo-4-chloro-4,5,5-trifluoropent-2-enoic acid, 232602-80-1, SCHEMBL7824989, (E)-5-bromo-4-chloro-4,5,5-trifluoropent-2-enoic acid, MFCD00153683, AKOS016015251, 5-BROMO-4-CHLORO-4,5,5-TRIFLUORO-2-PENTENOIC ACID

This compound serves as a critical building block in organic synthesis, particularly for introducing fluorinated motifs into complex molecules. Researchers utilize it in medicinal chemistry for developing protease inhibitors and kinase modulators due to its electrophilic alkene moiety. In materials science, it acts as a precursor for fluorinated polymers with enhanced thermal stability. Its reactivity also enables applications in catalytic cross-coupling reactions and as a linker in bioconjugation strategies.

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