Description

5-Bromo-1,3-difluoro-2-methylbenzene (CAS No. 179617-08-4) is a high-purity halogenated aromatic compound with the molecular formula C₇H₅BrF₂. This specialized chemical is engineered for advanced synthetic applications, featuring a bromo and dual fluoro substitution pattern on a methylbenzene backbone, offering unique reactivity for cross-coupling reactions, nucleophilic substitutions, and as a building block in pharmaceutical and agrochemical intermediates. Available in rigorously controlled batches with ≥98% purity (GC), it is supplied in amber glass vials under inert gas to ensure stability. Ideal for researchers in organofluorine chemistry, material science, and medicinal chemistry seeking precision-functionalized aromatics.

Properties

• CAS Number: 179617-08-4
• Complexity: 106
• IUPAC Name: 5-bromo-1,3-difluoro-2-methyl-benzene
• InChI: InChI=1S/C7H5BrF2/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
• InChI Key: NGINOAWMGMGBPJ-UHFFFAOYSA-N
• Exact Mass: 205.95427
• Molecular Formula: C7H5BrF2
• Molecular Weight: 207.01
• SMILES: CC1=C(C=C(C=C1F)Br)F
• Monoisotopic Mass: 205.95427
• Synonyms: 5-bromo-1,3-difluoro-2-methylbenzene, 179617-08-4, 4-Bromo-2,6-difluorotoluene, Benzene, 5-bromo-1,3-difluoro-2-methyl-, 5-bromo-1,3-difluoro-2-methyl-benzene, MFCD07368697, 2,6-Difluoro-4-bromotoluene, SCHEMBL378485, SCHEMBL584556, DTXSID40382514, NGINOAWMGMGBPJ-UHFFFAOYSA-N, CL8836, SBB093782, AKOS015999620, GS-3686, SY101484, CS-0153540, 5-Bromo-1 pound not3-difluoro-2-methylbenzene

Application

5-Bromo-1,3-difluoro-2-methylbenzene serves as a versatile intermediate in Suzuki-Miyaura and Buchwald-Hartwig couplings for synthesizing fluorinated biaryl scaffolds. Its electron-deficient ring system is valuable in designing liquid crystals and OLED materials. The compound is also employed in medicinal chemistry to introduce fluorine and bromine motifs into lead compounds for enhanced bioavailability and binding affinity.

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