Description

2-Bromo-1-fluoro-4-nitrobenzene (CAS No. 701-45-1) is a high-purity halogenated nitroaromatic compound with the molecular formula C₆H₃BrFNO₂. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and material science applications. The compound features a bromo- and fluoro-substituted benzene ring with a nitro group at the para position, offering unique reactivity for electrophilic aromatic substitution and nucleophilic displacement reactions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed amber glass vials under inert atmosphere to guarantee stability. Ideal for Suzuki couplings, SNAr reactions, and as a precursor for agrochemicals or liquid crystals. MSDS and analytical certificates available upon request.

Properties

• CAS Number: 701-45-1
• Complexity: 161
• IUPAC Name: 2-bromo-1-fluoro-4-nitro-benzene
• InChI: InChI=1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
• InChI Key: FAWMTDSAMOCUAR-UHFFFAOYSA-N
• Exact Mass: 218.93312
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 220.00
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)F
• Topological: 45.8
• Monoisotopic Mass: 218.93312
• Synonyms: 701-45-1, 2-Bromo-1-fluoro-4-nitrobenzene, EINECS 211-855-6, DTXSID30220375, DTXCID30142866, 211-855-6, 3-Bromo-4-fluoronitrobenzene, 3-bromo-4-fluoro-1-nitrobenzene, 1-bromo-2-fluoro-5-nitrobenzene, 2-bromo-1-fluoro-4-nitro-benzene, Benzene, 2-bromo-1-fluoro-4-nitro-, MFCD00055433, 3-bromo-4-fluoronitrobezene, F6Q7EY57QW, 4-fluoro-3-bromonitrobenzene, SCHEMBL431642, 3-bromo-4-fluoro-nitrobenzene, SCHEMBL11909458, 2-bromo-1-fluoro4-nitro benzene, 2-bromo-1-fluoro-4-nitro benzene, SBB063058, AKOS005071017, AC-3040, CS-W007651, SB13084, 2-Bromo-1-fluoro-4-nitrobenzene, 95%, BP-13103, SY003645, DB-005283, B2958, NS00041973, ST51042101, EN300-91512, 7P-057, 3-Bromo-4-fluoronitrobenzene;3-Bromo-4-fluoro-1-nitrobenzene

Application

2-Bromo-1-fluoro-4-nitrobenzene serves as a key building block in pharmaceutical synthesis, particularly for creating fluorinated drug candidates through palladium-catalyzed cross-coupling reactions. The compound’s orthogonal reactivity (Br vs F substitution patterns) makes it valuable for constructing complex heterocycles in medicinal chemistry. Researchers also utilize this intermediate in materials science for developing advanced organic electronic materials and liquid crystal compounds. The nitro group provides an additional handle for further functionalization through reduction to amines or conversion to other derivatives.

Safety and Hazards

GHS Hazard Statements

• H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (92.9%)

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