Description

5-Bromo-2-[chloro(difluoro)methoxy]-1,3-difluorobenzene (CAS No. 115488-29-4) is a highly specialized halogenated aromatic compound with the molecular formula C₇H₂BrClF₄O. This organofluorine derivative features a unique combination of bromo, chloro, and difluoromethoxy substituents on a difluorinated benzene ring, making it a valuable intermediate in advanced synthetic chemistry. The compound’s high purity (>97%) ensures optimal performance in research applications, and its well-characterized structure (verified by ¹H NMR, ¹³C NMR, and mass spectrometry) guarantees reliability for sensitive reactions. Packaged under inert gas in amber glass vials to prevent degradation, this air- and moisture-sensitive reagent is particularly useful for pharmaceutical development, materials science, and agrochemical research where selective fluorination is required. Its molecular weight of 285.44 g/mol and precise halogen placement offer exceptional reactivity control for nucleophilic aromatic substitutions and cross-coupling reactions.

Properties

• CAS Number: 115488-29-4
• Complexity: 194
• IUPAC Name: 5-bromo-2-[chloro(difluoro)methoxy]-1,3-difluoro-benzene
• InChI: InChI=1S/C7H2BrClF4O/c8-3-1-4(10)6(5(11)2-3)14-7(9,12)13/h1-2H
• InChI Key: BJMYFFDBPCPJSY-UHFFFAOYSA-N
• Exact Mass: 291.89137
• Molecular Formula: C7H2BrClF4O
• Molecular Weight: 293.44
• SMILES: C1=C(C=C(C(=C1F)OC(F)(F)Cl)F)Br
• Topological: 9.2
• Monoisotopic Mass: 291.89137
• Synonyms: 5-Bromo-2-[chloro(difluoro)methoxy]-1,3-difluoro-benzene, 115488-29-4, 5-bromo-2-[chloro(difluoro)methoxy]-1,3-difluorobenzene, SCHEMBL9804244, BJMYFFDBPCPJSY-UHFFFAOYSA-N, AKOS016016523

Application

This multifluorinated benzene derivative serves as a critical building block in the synthesis of bioactive molecules, particularly in developing novel PET radiotracers and fluorinated pharmaceuticals. Its unique substitution pattern enables precise modulation of electronic properties in liquid crystal materials and organic semiconductors. Researchers utilize this compound as a key intermediate in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to create complex fluorinated architectures. The chloro(difluoro)methoxy group offers distinctive metabolic stability when incorporated into drug candidates, making it valuable for medicinal chemistry programs targeting CNS and oncology applications.

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