Description

1-Bromo-2-fluoro-4-methoxybenzene (CAS No. 458-50-4) is a high-purity aromatic compound with the molecular formula C₇H₆BrFO, widely utilized in pharmaceutical, agrochemical, and materials science research. This halogenated anisole derivative features a bromo and fluoro substituent at the 1- and 2-positions, respectively, alongside a methoxy group at the 4-position, enabling versatile reactivity in cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig) and nucleophilic substitutions. Supplied as a clear to pale-yellow liquid or crystalline solid (purity ≥98% by GC), it is packaged under inert gas to ensure stability. Ideal for synthesizing fluorinated scaffolds, liquid crystals, and bioactive intermediates. Store in a cool, dry place away from light. MSDS and analytical certificates (HPLC, NMR) available upon request.

Properties

• CAS Number: 458-50-4
• 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 key building block in medicinal chemistry for introducing fluorinated phenyl motifs into drug candidates, enhancing metabolic stability. It is employed in agrochemical research to develop novel herbicides and pesticides via regioselective functionalization. The compound also finds use in materials science for synthesizing fluorinated liquid crystals and OLED precursors.

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.