Description

4-Bromo-1-ethoxy-2-fluorobenzene (CAS No. 115467-08-8) is a high-purity halogenated aromatic compound with the molecular formula C₈H₈BrFO. This specialized chemical is characterized by its bromo, ethoxy, and fluoro substituents on a benzene ring, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its well-defined structure (IUPAC name: 4-bromo-1-ethoxy-2-fluorobenzene) ensures consistent reactivity in cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced materials. Available in research quantities with ≥95% purity (GC), it is supplied in sealed containers under inert gas to maintain stability. Ideal for use in Suzuki-Miyaura couplings, medicinal chemistry, and agrochemical development. NMR, HPLC, and MS data are available upon request.

Properties

• CAS Number: 115467-08-8
• Complexity: 121
• IUPAC Name: 4-bromo-1-ethoxy-2-fluoro-benzene
• InChI: InChI=1S/C8H8BrFO/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
• InChI Key: ZMTIHOQUIPYSQK-UHFFFAOYSA-N
• Exact Mass: 217.97426
• Molecular Formula: C8H8BrFO
• Molecular Weight: 219.05
• SMILES: CCOC1=C(C=C(C=C1)Br)F
• Topological: 9.2
• Monoisotopic Mass: 217.97426
• Synonyms: 4-Bromo-1-ethoxy-2-fluorobenzene, 115467-08-8, 4-Bromo-2-fluoroethoxybenzene, Benzene, 4-bromo-1-ethoxy-2-fluoro-, 4-bromo-2-fluorophenetole, 4-bromo-1-ethoxy-2-fluoro-benzene, MFCD09907659, 4-Bromo-2-fluorophenatole, 3-fluoro-4-ethoxybromobenzene, SCHEMBL1509935, DTXSID60561203, ZMTIHOQUIPYSQK-UHFFFAOYSA-N, AKOS016005115, AS-10160, DB-028726, CS-0061636, N11595

Application

4-Bromo-1-ethoxy-2-fluorobenzene serves as a key building block in pharmaceutical synthesis, particularly for introducing fluorinated aromatic motifs in drug candidates. Its bromo group enables palladium-catalyzed cross-coupling reactions to construct complex biaryl structures. The compound is also employed in material science for developing liquid crystals and OLED materials due to its electron-withdrawing fluorine and ethoxy groups. Researchers utilize it to study structure-activity relationships in agrochemicals.

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