Description

1-Bromo-2-fluoro-4-methoxybenzene (CAS No. 408-50-4) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrFO. This specialized chemical is a valuable building block in organic synthesis, particularly for pharmaceutical intermediates, agrochemicals, and advanced material research. The compound features a bromo- and fluoro-substituted benzene ring with a methoxy group at the para position, offering unique reactivity for cross-coupling reactions (e.g., Suzuki, Stille) and nucleophilic substitutions. Supplied as a clear to pale-yellow liquid with ≥98% purity (GC), it is rigorously tested for consistency and stored under inert conditions to ensure stability. Compatible with anhydrous reactions and suitable for use in controlled environments. Available in research (1g-100g) and bulk quantities (1kg+) with optional custom purity specifications.

Properties

• CAS Number: 408-50-4
• Complexity: 110
• IUPAC Name: 1-bromo-2-fluoro-4-methoxy-benzene
• InChI: InChI=1S/C7H6BrFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
• InChI Key: XANVIFOBBVAKCY-UHFFFAOYSA-N
• Exact Mass: 203.95861
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.02
• SMILES: COC1=CC(=C(C=C1)Br)F
• Topological: 9.2
• Monoisotopic Mass: 203.95861
• Synonyms: 4-Bromo-3-fluoroanisole, 1-bromo-2-fluoro-4-methoxybenzene, 408-50-4, DTXSID50961218, DTXCID701389050, 610-274-9, 458-50-4, MFCD01310983, 1-bromo-2-fluoro-4-methoxy-benzene, 3-fluoro-4-bromoanisol, 4-bromo-3-fluoro anisole, 4-Bromo 3-fluoro anisole, SCHEMBL276828, SBB055267, AKOS007930743, AC-3764, CS-W008401, DS-0878, PS-8119, SY018626, DB-030923, DB-031098, B3743, EN300-73004, 1-Bromo-2-fluoro-4-methoxybenzene, AldrichCPR, 1-Bromo-2-fluoro-4-methoxybenzene, 4-Bromo-3-fluorophenyl methyl ether

Application

1-Bromo-2-fluoro-4-methoxybenzene serves as a versatile intermediate in medicinal chemistry for synthesizing fluorinated drug candidates, particularly kinase inhibitors and CNS-targeting compounds. Its orthogonal halogen/methoxy substitution pattern enables regioselective functionalization in Pd-catalyzed cross-couplings. The compound is also employed in liquid crystal and OLED material development, where its electron-withdrawing halogens and donating methoxy group influence π-conjugation. Researchers utilize it to introduce fluorine motifs in agrochemical analogs to enhance bioavailability.

Safety and Hazards

GHS Hazard Statements

• H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (10%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, 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 (10%)
• Skin Irrit. 2 (90%)
• Eye Irrit. 2A (90%)
• STOT SE 3 (80%)
• Aquatic Chronic 3 (10%)

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