Description

2-Bromo-1-fluoro-4-methoxybenzene (CAS No. 1161497-23-9) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrFO. This specialty chemical features a bromo- and fluoro-substituted benzene ring with a methoxy group at the para position, making it a versatile building block for pharmaceutical, agrochemical, and materials science research. Available in >98% purity (GC), it is supplied as a clear to pale-yellow liquid with strict quality control via HPLC, NMR, and MS analysis. Ideal for Suzuki couplings, nucleophilic substitutions, and as a precursor in heterocyclic synthesis. Packaged under inert gas in amber glass vials to ensure stability. Store at 2-8°C in a dry environment.

Properties

• CAS Number: 1161497-23-9
• Complexity: 110
• IUPAC Name: 2-bromo-1-fluoro-4-methoxy-benzene
• InChI: InChI=1S/C7H6BrFO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
• InChI Key: LYIGJBQYDRJPIR-UHFFFAOYSA-N
• Exact Mass: 203.95861
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.02
• SMILES: COC1=CC(=C(C=C1)F)Br
• Topological: 9.2
• Monoisotopic Mass: 203.95861
• Synonyms: 1161497-23-9, 2-Bromo-1-fluoro-4-methoxybenzene, DTXSID00590734, DTXCID50541498, 843-351-2, 3-Bromo-4-fluoroanisole, Benzene, 2-bromo-1-fluoro-4-methoxy-, 2-Bromo-1-fluoro-4-methoxy-benzene, MFCD13185359, SCHEMBL1042775, SCHEMBL3754193, SCHEMBL6683483, LYIGJBQYDRJPIR-UHFFFAOYSA-N, 1-Bromo-2-fluoro-5-methoxybenzene;, BBL102400, CL8599, STL556202, AKOS015920105, CS-W021590, PS-8123, SY021984, DB-364699, EN300-131385, Z1269188737

Application

2-Bromo-1-fluoro-4-methoxybenzene is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and liquid crystal materials. Its unique substitution pattern enables selective functionalization in cross-coupling reactions (e.g., Buchwald-Hartwig amination). Researchers employ this compound to develop fluorinated analogs of bioactive molecules for enhanced metabolic stability. In material science, it serves as a precursor for photoactive polymers and OLED components.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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

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