Description

Ethyl 4-bromo-2-fluorobenzoate (CAS No. 474709-71-2) is a high-purity aromatic ester compound with the molecular formula C₉H₈BrFO₂. This organobromine derivative features a benzoate core substituted with a bromine atom at the para position and a fluorine atom at the ortho position, esterified with an ethyl group. With a molecular weight of 247.06 g/mol, this crystalline solid is widely utilized as a key intermediate in pharmaceutical synthesis and advanced material research. Our product is rigorously tested by HPLC and NMR to ensure >98% purity, packaged under inert gas to prevent degradation. Ideal for coupling reactions, halogen exchange processes, and as a precursor for fluorinated liquid crystals or bioactive molecules.

Properties

• CAS Number: 474709-71-2
• Complexity: 186
• IUPAC Name: ethyl 4-bromo-2-fluoro-benzoate
• InChI: InChI=1S/C9H8BrFO2/c1-2-13-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
• InChI Key: MVDINIAYLXTBKB-UHFFFAOYSA-N
• Exact Mass: 245.96917
• Molecular Formula: C9H8BrFO2
• Molecular Weight: 247.06
• SMILES: CCOC(=O)C1=C(C=C(C=C1)Br)F
• Topological: 26.3
• Monoisotopic Mass: 245.96917
• Synonyms: Ethyl 4-bromo-2-fluorobenzoate, Benzoic acid, 4-bromo-2-fluoro-, ethyl ester, DTXSID20621812, DTXCID10572566, 812-997-7, 474709-71-2, ethyl 4-bromo-2-fluoro-benzoate, Ethyl4-bromo-2-fluorobenzoate, MFCD06204444, SCHEMBL719657, AKOS009165558, DS-4263, SY114529, DB-342997, CS-0143260

Application

Ethyl 4-bromo-2-fluorobenzoate serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated drug candidates, particularly kinase inhibitors and CNS-active compounds. The compound’s orthogonal halogen/fluorine substitution pattern enables selective Suzuki-Miyaura cross-coupling reactions in API development. Researchers also employ it as a precursor for nonlinear optical materials and as a derivatization agent in analytical chemistry for halogenated aromatic detection.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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