Description

5-Bromo-3-fluoro-2-methylaniline (CAS No. 886761-86-0) is a high-purity halogenated aniline derivative with the molecular formula C₇H₇BrFN. This compound features a bromo and fluoro substitution on the aromatic ring, along with a reactive amino group, making it a versatile building block in pharmaceutical and agrochemical synthesis. Its precise structure (IUPAC: 5-bromo-3-fluoro-2-methylaniline) ensures consistent reactivity in cross-coupling reactions, electrophilic substitutions, and as a precursor for heterocyclic compounds. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for trace metals, residual solvents, and moisture content. Ideal for research in medicinal chemistry, material science, and as a ligand in catalysis. Packaged under inert gas to ensure stability and shipped with detailed analytical certificates (COA, MSDS).

Properties

• CAS Number: 886761-86-0
• Complexity: 120
• IUPAC Name: 5-bromo-3-fluoro-2-methyl-aniline
• InChI: InChI=1S/C7H7BrFN/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3
• InChI Key: WZOCIQQLMNJJSE-UHFFFAOYSA-N
• Exact Mass: 202.97459
• Molecular Formula: C7H7BrFN
• Molecular Weight: 204.04
• SMILES: CC1=C(C=C(C=C1F)Br)N
• Topological: 26
• Monoisotopic Mass: 202.97459
• Synonyms: 5-bromo-3-fluoro-2-methylaniline, 886761-86-0, 2-Amino-4-bromo-6-fluorotoluene, MFCD03094194, SCHEMBL560909, DTXSID00372198, WZOCIQQLMNJJSE-UHFFFAOYSA-N, SBB093221, 5-bromo-3-fluoro-2-methylphenylamine, AKOS022171826, 5-Bromo-3-fluoro-2-methyl-phenylamine, SB78226, AS-42335

Application

5-Bromo-3-fluoro-2-methylaniline is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for fluorinated drug candidates targeting CNS and oncology applications. Its halogenated structure facilitates Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to construct complex biaryl scaffolds. In agrochemical research, it serves as a precursor for herbicides and fungicides with enhanced bioavailability. The compound’s fluorine moiety also aids in PET radiotracer development for diagnostic imaging.

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