Description

2-Bromo-5-fluoroanisole (CAS No. 450-88-4) is a high-purity aromatic compound with the molecular formula C₇H₆BrFO. This halogenated anisole derivative is a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring bromo and fluoro substituents on a methoxybenzene backbone, enables versatile reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. Suitable for use in Pd-catalyzed coupling reactions, this compound is offered at 99% purity (GC) to ensure optimal performance in sensitive applications. Packaged under inert conditions to maintain stability, it is ideal for researchers requiring precise and reliable building blocks for drug discovery, material science, and specialty chemical synthesis.

Properties

• CAS Number: 450-88-4
• Complexity: 110
• IUPAC Name: 1-bromo-4-fluoro-2-methoxy-benzene
• InChI: InChI=1S/C7H6BrFO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3
• InChI Key: KGYXKRGMSUHYCY-UHFFFAOYSA-N
• Exact Mass: 203.95861
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.02
• SMILES: COC1=C(C=CC(=C1)F)Br
• Topological: 9.2
• Monoisotopic Mass: 203.95861
• Synonyms: 2-Bromo-5-fluoroanisole, 450-88-4, DTXSID00426943, DTXCID30377777, 626-484-9, 1-bromo-4-fluoro-2-methoxybenzene, MFCD04973752, 1-Bromo-4-fluoro-2-(methoxy-d3)benzene, Benzene, 1-bromo-4-fluoro-2-methoxy-, 2070932-23-7, 1-bromo-4-fluoro-2-methoxy-benzene, SCHEMBL1204321, bromo-4-fluoro-2-methoxybenzene, 2-Bromo-5-fluoroanisole, 99%, 1-bromo4-fluoro-2-methoxybenzene, 2-Methoxy4-fluoro-1-bromobenzene, KGYXKRGMSUHYCY-UHFFFAOYSA-N, l-bromo-4-fluoro-2-methoxy-benzene, SBB093400, TD1093, AKOS005257891, AC-9663, CS-W007814, SY014353, SY311746, DB-020662, B3875, ST50826550, EN300-79960, 12P-143

2-Bromo-5-fluoroanisole serves as a key intermediate in the synthesis of bioactive molecules, including pharmaceuticals and agrochemicals. Its bromo and fluoro groups facilitate Suzuki-Miyaura and Buchwald-Hartwig couplings for constructing complex heterocycles. Researchers also utilize it in the development of fluorinated liquid crystals and advanced materials. The methoxy group enhances solubility in organic solvents, streamlining reaction workflows.

Safety and Hazards

GHS Hazard Statements

• H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (18.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.4%)
• Skin Irrit. 2 (18.8%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (16.7%)

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