Atomfair 2-Bromo-4-fluoroanisole C7H6BrFO CAS 452-08-4

Description

2-Bromo-4-fluoroanisole (CAS No. 452-08-4) is a high-purity halogenated anisole derivative with the molecular formula C₇H₆BrFO. This aromatic compound, also known by its IUPAC name 2-bromo-4-fluoro-1-methoxybenzene, features a bromo substituent at the 2-position and a fluoro group at the 4-position of the methoxybenzene ring. Its unique electronic configuration makes it an invaluable building block in pharmaceutical synthesis, particularly for the development of active pharmaceutical ingredients (APIs) and agrochemical intermediates. With a molecular weight of 205.03 g/mol, this reagent is supplied as a clear to pale yellow liquid (or low-melting solid depending on storage conditions) with ≥98% purity by GC analysis. Proper storage at 2-8°C under inert atmosphere ensures optimal stability. Suitable for cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig), nucleophilic substitutions, and as a precursor for fluorinated liquid crystals. Available in research (5g, 25g) and bulk quantities (1kg+) with optional certified analytical data.

Properties

• CAS Number: 452-08-4
• Complexity: 110
• IUPAC Name: 2-bromo-4-fluoro-1-methoxy-benzene
• InChI: InChI=1S/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
• InChI Key: JIQXVIJARQLCOY-UHFFFAOYSA-N
• Exact Mass: 203.95861
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.02
• SMILES: COC1=C(C=C(C=C1)F)Br
• Topological: 9.2
• Monoisotopic Mass: 203.95861
• Synonyms: 2-Bromo-4-fluoroanisole, 2-Bromo-4-fluoro-1-methoxybenzene, JIQXVIJARQLCOY-UHFFFAOYSA-, DTXSID00196417, NSC 10328, DTXCID10118908, 610-229-3, inchi=1/c7h6brfo/c1-10-7-3-2-5(9)4-6(7)8/h2-4h,1h3, 452-08-4, Benzene, 2-bromo-4-fluoro-1-methoxy-, MFCD00012014, 1-Bromo-3-fluoro-6-methoxybenzene, 2-bromo-4-fluoro anisole, NSC10328, 2-bromo-4-fluoro-1-methoxy-benzene, 2-bromo-4-fluoroanisol, 4-fluoro-2-bromanisole, 4-fluoro-2-bromoanisole, 2-bromo-4-fluoro-anisole, SCHEMBL504965, SCHEMBL748497, SCHEMBL27273906, SCHEMBL28762463, 2-Bromo-4-fluoroanisole, 96%, NSC-10328, SBB093396, 2-Bromo-4-fluoro-1-methoxybenzene #, AKOS000179068, AC-3756, CS-W001094, HY-W001094, PS-8122, 2-bromo-4-fluoro-1-(methyloxy)benzene, SY016157, DB-030823, B1830, NS00122533, ST50307324, EN300-122020

Application

2-Bromo-4-fluoroanisole serves as a key intermediate in organofluorine chemistry, enabling the synthesis of fluorinated drug candidates through palladium-catalyzed cross-coupling reactions. Its electron-deficient aromatic ring facilitates regioselective functionalization in the development of kinase inhibitors and CNS-active compounds. The compound’s orthogonal halogen/methoxy substitution pattern makes it particularly valuable for constructing axially chiral biaryl systems in asymmetric catalysis. Researchers also utilize this building block in material science for creating fluorinated liquid crystal monomers with tailored dielectric properties.

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 (97.9%): 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 (97.9%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.