Description

Ethyl 3-bromo-2-fluorobenzoate (CAS: 334792-76-6) is a high-purity fluorinated aromatic ester with the molecular formula C₉H₈BrFO₂. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both bromo and fluoro substituents on the benzoate ring, enables selective functionalization for advanced intermediates. Available in >98% purity (GC), this reagent is supplied in rigorously tested batches to ensure consistency for sensitive applications. The ethyl ester group enhances solubility in organic solvents, facilitating reactions such as cross-coupling, nucleophilic substitution, and metal-catalyzed transformations. Packaged under inert gas in amber glass vials to prevent degradation.

Properties

• CAS Number: 334792-76-6
• Complexity: 186
• IUPAC Name: ethyl 3-bromo-2-fluoro-benzoate
• InChI: InChI=1S/C9H8BrFO2/c1-2-13-9(12)6-4-3-5-7(10)8(6)11/h3-5H,2H2,1H3
• InChI Key: GQNWAVFXHZEZKP-UHFFFAOYSA-N
• Exact Mass: 245.96917
• Molecular Formula: C9H8BrFO2
• Molecular Weight: 247.06
• SMILES: CCOC(=O)C1=C(C(=CC=C1)Br)F
• Topological: 26.3
• Monoisotopic Mass: 245.96917
• Synonyms: Ethyl 3-bromo-2-fluorobenzoate, 334792-76-6, 3-Bromo-2-fluorobenzoic acid ethyl ester, Ethyl3-bromo-2-fluorobenzoate, MFCD10566819, SCHEMBL669621, DTXSID50591175, GQNWAVFXHZEZKP-UHFFFAOYSA-N, AS-76570, 3-Bromo-2-fluorobenzoic acid ethyl acetate, DB-366063, CS-0110567, D95602, 3-BROMO-2-FLUORO-BENZOIC ACID ETHYL ESTER

Application

Ethyl 3-bromo-2-fluorobenzoate serves as a key intermediate in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions for pharmaceutical lead optimization. The compound’s orthogonal reactivity allows sequential modification of both halogen sites in medicinal chemistry workflows. Researchers utilize it in the synthesis of fluorinated liquid crystals and PET radiotracer precursors. Its stability under basic conditions makes it ideal for multistep syntheses of bioactive molecules.

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