Description

4-Bromo-2-fluoro-1,1′-biphenyl (CAS No. 41604-19-7) is a high-purity halogenated biphenyl compound with the molecular formula C₁₂H₈BrF. This aromatic intermediate features a bromine substituent at the 4-position and a fluorine at the 2-position of the biphenyl scaffold, offering unique reactivity for cross-coupling reactions and functional group transformations. With a molecular weight of 251.09 g/mol, this crystalline solid is rigorously tested via GC/HPLC to ensure ≥98% purity, making it ideal for pharmaceutical synthesis, materials science, and advanced organic chemistry research. Packaged under inert gas in amber glass vials to ensure stability, it is compatible with Suzuki-Miyaura couplings, Buchwald-Hartwig aminations, and other palladium-catalyzed processes. SDS and technical data available upon request.

Properties

• CAS Number: 41604-19-7
• Complexity: 177
• IUPAC Name: 4-bromo-2-fluoro-1-phenyl-benzene
• InChI: InChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
• InChI Key: HTRNHWBOBYFTQF-UHFFFAOYSA-N
• Exact Mass: 249.97934
• Molecular Formula: C12H8BrF
• Molecular Weight: 251.09
• SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F
• Monoisotopic Mass: 249.97934
• Synonyms: 41604-19-7, 4-Bromo-2-fluoro-1,1′-biphenyl, EINECS 255-453-9, DTXSID00194433, DTXCID10116924, 255-453-9, 4-Bromo-2-fluorobiphenyl, 4-bromo-2-fluoro-1-phenylbenzene, 1,1′-Biphenyl, 4-bromo-2-fluoro-, MFCD00051716, 4-Bromo-2-Fluoro-1,1-Biphenyl, 2-Fluoro-4-bromobiphenyl; 4-Bromo-2-fluorobiphenyl; 4′-Bromo-2′-fluorobiphenyl;, 2-fluoro-4-bromobiphenyl, 4-bromo-2-fluoro-biphenyl, 4′-Bromo-2′-fluorobiphenyl, SCHEMBL456919, SCHEMBL538592, SCHEMBL4009381, HTRNHWBOBYFTQF-UHFFFAOYSA-, 4-Bromo-2-fluorobiphenyl, 99%, SBB059345, 4-Bromo-2-fluoro-1,1′-biphenyl #, AKOS005064120, AC-6127, CS-W012635, FB19088, PS-7468, B2028, NS00031010, ST50408568, 2-Fluoro-4-bromobiphenyl;4-Bromo-2-fluorobiphenyl;4′-Bromo-2′-fluorobiphenyl, InChI=1/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H

Application

4-Bromo-2-fluoro-1,1′-biphenyl serves as a versatile building block in medicinal chemistry for the synthesis of fluorinated drug candidates, particularly kinase inhibitors. Its halogenated structure enables efficient palladium-catalyzed cross-coupling reactions to construct complex biaryl systems in agrochemicals and OLED materials. Researchers also utilize it to introduce fluorine motifs in liquid crystal and polymer research, leveraging its steric and electronic effects.

Safety and Hazards

GHS Hazard Statements

• H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (83%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H400 (89.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
• H410 (87.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.1%)
• Skin Irrit. 2 (83%)
• Eye Irrit. 2 (83%)
• Aquatic Acute 1 (89.4%)
• Aquatic Chronic 1 (87.2%)

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