Description

1-Bromo-2-fluoro-4-propylbenzene (CAS No. 167858-56-2) is a high-purity halogenated aromatic compound with the molecular formula C₉H₁₀BrF. This organofluorine building block features a bromo-fluoro substitution pattern on a propylbenzene backbone, making it a versatile intermediate for synthetic chemistry applications. Our product is rigorously quality-controlled to ensure ≥95% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Ideal for pharmaceutical research, materials science, and agrochemical development, this compound offers excellent reactivity for cross-coupling reactions (e.g., Suzuki-Miyaura, Buchwald-Hartwig) and nucleophilic aromatic substitutions. Available in research quantities from 100mg to 100g with customizable packaging options.

Properties

• CAS Number: 167858-56-2
• Complexity: 116
• IUPAC Name: 1-bromo-2-fluoro-4-propyl-benzene
• InChI: InChI=1S/C9H10BrF/c1-2-3-7-4-5-8(10)9(11)6-7/h4-6H,2-3H2,1H3
• InChI Key: NYAHPJZGIZIGEL-UHFFFAOYSA-N
• Exact Mass: 215.99499
• Molecular Formula: C9H10BrF
• Molecular Weight: 217.08
• SMILES: CCCC1=CC(=C(C=C1)Br)F
• Monoisotopic Mass: 215.99499
• Synonyms: 1-bromo-2-fluoro-4-propylbenzene, 167858-56-2, Benzene, 1-bromo-2-fluoro-4-propyl-, MFCD00804632, SCHEMBL8084327, SCHEMBL8619701, DTXSID60401579, AKOS015998872, AS-62128, DB-311919, CS-0152423, A12131

Application

1-Bromo-2-fluoro-4-propylbenzene serves as a key precursor in the synthesis of liquid crystal materials and pharmaceutical intermediates. The compound’s unique halogen substitution pattern enables selective functionalization at either the bromo or fluoro positions under controlled conditions. Researchers utilize this building block for developing novel fluorinated compounds with enhanced biological activity or material properties. Its propyl side chain provides additional modification sites for structure-activity relationship studies in medicinal chemistry programs.

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