Description

1-Bromo-2-fluoro-5-methoxy-4-nitrobenzene (CAS No. 330794-02-0) is a high-purity halogenated aromatic compound with the molecular formula C₇H₅BrFNO₃. This structurally versatile intermediate features a bromo- and fluoro-substituted benzene ring with additional methoxy and nitro functional groups, making it invaluable for synthetic organic chemistry applications. Its unique substitution pattern enables selective cross-coupling reactions, nucleophilic substitutions, and further functionalization in pharmaceutical, agrochemical, and materials science research. Supplied as a crystalline solid with ≥95% purity (HPLC), this compound is rigorously tested for consistency and stability. Store under inert conditions at 2-8°C to maintain optimal shelf life. Available in research quantities (100mg to 10g) with optional analytical certificates.

Properties

• CAS Number: 330794-02-0
• Complexity: 199
• IUPAC Name: 1-bromo-2-fluoro-5-methoxy-4-nitro-benzene
• InChI: InChI=1S/C7H5BrFNO3/c1-13-7-2-4(8)5(9)3-6(7)10(11)12/h2-3H,1H3
• InChI Key: DBEXWIUEKLTMPE-UHFFFAOYSA-N
• Exact Mass: 248.94368
• Molecular Formula: C7H5BrFNO3
• Molecular Weight: 250.02
• SMILES: COC1=CC(=C(C=C1[N+](=O)[O-])F)Br
• Topological: 55.1
• Monoisotopic Mass: 248.94368
• Synonyms: 1-BROMO-2-FLUORO-5-METHOXY-4-NITROBENZENE, 330794-02-0, 5-Bromo-4-fluoro-2-nitroanisole, MFCD16658620, Benzene, 1-bromo-2-fluoro-5-methoxy-4-nitro-, SCHEMBL310903, DTXSID00625090, TQP0554, DBEXWIUEKLTMPE-UHFFFAOYSA-N, FNA79402, AKOS024258129, SY025432, 1-Bromo-2-fluoro-4-nitro-5-methoxybenzene, DB-363401, 1-bromo-2-fluoro-4-methoxy-5-nitro-benzene, 5-bromo-4-fluoro-2-nitrophenyl methyl ether, CS-0105520, EN300-7407135

Application

This compound serves as a key building block in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions for pharmaceutical intermediates. Its electron-deficient aromatic ring facilitates nucleophilic aromatic substitutions in agrochemical synthesis. Researchers also utilize it to develop liquid crystal materials and fluorinated dyes. The orthogonal reactivity of bromo and fluoro substituents enables sequential functionalization in complex molecule construction.

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