Description

2-Bromo-4,6-difluoroanisole (CAS No. 202865-59-6) is a high-purity halogenated aromatic compound with the molecular formula C₇H₅BrF₂O. Also known as 1-bromo-3,5-difluoro-2-methoxybenzene by IUPAC nomenclature, this specialty chemical is characterized by its bromo- and difluoro-substituted anisole structure, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its unique electronic properties and reactivity profile enable selective functionalization in cross-coupling reactions, nucleophilic substitutions, and as a precursor for advanced materials. Supplied as a clear to pale-yellow liquid (or low-melting solid) with ≥95% purity (GC), it is packaged under inert gas to ensure stability. Ideal for researchers developing agrochemicals, liquid crystals, or bioactive molecules requiring precise halogenated building blocks. Storage recommendation: 2-8°C in a tightly sealed container away from light and moisture.

Properties

• CAS Number: 202865-59-6
• Complexity: 134
• IUPAC Name: 1-bromo-3,5-difluoro-2-methoxy-benzene
• InChI: InChI=1S/C7H5BrF2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
• InChI Key: MFXWQGHKLXJIIP-UHFFFAOYSA-N
• Exact Mass: 221.94918
• Molecular Formula: C7H5BrF2O
• Molecular Weight: 223.01
• SMILES: COC1=C(C=C(C=C1Br)F)F
• Topological: 9.2
• Monoisotopic Mass: 221.94918
• Synonyms: 2-Bromo-4,6-difluoroanisole, 202865-59-6, DTXSID80371240, DTXCID00322274, 622-386-5, 1-bromo-3,5-difluoro-2-methoxybenzene, Benzene, 1-bromo-3,5-difluoro-2-methoxy-, MFCD00070754, SCHEMBL4355782, MFXWQGHKLXJIIP-UHFFFAOYSA-N, BBL100835, SBB096410, STL554629, TD1208, 2-Bromo-4,6-difluoroanisole, 97%, AKOS005255085, CS-W014710, AC-25965, DS-12654, SY106552, DB-045150, EN300-1896170

Application

2-Bromo-4,6-difluoroanisole serves as a versatile synthon in medicinal chemistry for introducing bromo- and difluoromethoxy motifs into drug candidates, particularly in CNS-targeting compounds. It is employed in Suzuki-Miyaura coupling reactions to create biaryl scaffolds common in kinase inhibitors. The electron-withdrawing fluorine atoms enhance reactivity in SNAr reactions for constructing heterocyclic systems. Additionally, this compound finds use in materials science as a monomer for fluorine-containing polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (90.9%)

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