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Atomfair Ethyl 3-bromo-2,5-difluorobenzoate C9H7BrF2O2 CAS 1504876-00-9

Ethyl 3-bromo-2,5-difluorobenzoate (CAS No. 1504876-00-9) is a high-purity fluorinated aromatic ester with the molecular formula C9H7BrF2O2. This compound is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its structure features a benzoate core substituted with bromine and fluorine atoms at the 3-, 2-, and 5-positions, offering unique reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. The ethyl ester group enhances solubility in organic solvents, facilitating downstream applications. Supplied as a clear to pale-yellow liquid or low-melting solid, it is rigorously tested for quality (typically ≥95% purity by GC/HPLC) and packaged under inert conditions to…

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Description

Ethyl 3-bromo-2,5-difluorobenzoate (CAS No. 1504876-00-9) is a high-purity fluorinated aromatic ester with the molecular formula C9H7BrF2O2. This compound is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its structure features a benzoate core substituted with bromine and fluorine atoms at the 3-, 2-, and 5-positions, offering unique reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. The ethyl ester group enhances solubility in organic solvents, facilitating downstream applications. Supplied as a clear to pale-yellow liquid or low-melting solid, it is rigorously tested for quality (typically ≥95% purity by GC/HPLC) and packaged under inert conditions to ensure stability. Ideal for use in medicinal chemistry, material science, and as a precursor for advanced intermediates.

Properties

  • CAS Number: 1504876-00-9
  • Complexity: 213
  • IUPAC Name: ethyl 3-bromo-2,5-difluoro-benzoate
  • InChI: InChI=1S/C9H7BrF2O2/c1-2-14-9(13)6-3-5(11)4-7(10)8(6)12/h3-4H,2H2,1H3
  • InChI Key: LNANLRIATMKUKI-UHFFFAOYSA-N
  • Exact Mass: 263.95975
  • Molecular Formula: C9H7BrF2O2
  • Molecular Weight: 265.05
  • SMILES: CCOC(=O)C1=C(C(=CC(=C1)F)Br)F
  • Topological: 26.3
  • Monoisotopic Mass: 263.95975
  • Synonyms: Ethyl 3-bromo-2,5-difluorobenzoate, 1504876-00-9, Benzoic acid, 3-bromo-2,5-difluoro-, ethyl ester, ETHYL3-BROMO-2,5-DIFLUOROBENZOATE, AKOS020007400, AS-67617

Application

Ethyl 3-bromo-2,5-difluorobenzoate serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals, agrochemicals, and specialty materials. Its bromo and fluoro substituents enable participation in Suzuki, Stille, and other palladium-catalyzed cross-coupling reactions to construct complex aromatic systems. Researchers utilize this compound to develop bioactive molecules, leveraging the electron-withdrawing effects of fluorine to modulate potency and metabolic stability. It is also employed in the preparation of liquid crystals and polymers requiring tailored electronic properties.

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Disclaimer

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  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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