Description

3-Nitro-4-(trifluoromethoxy)bromobenzene (CAS No. 95668-20-5) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrF₃NO₃. This specialized chemical features a bromo-substituted benzene ring further modified with a nitro group and a trifluoromethoxy substituent, making it a valuable intermediate in synthetic organic chemistry. Its IUPAC name is 4-bromo-2-nitro-1-(trifluoromethoxy)benzene. The compound is supplied as a crystalline solid with >98% purity (HPLC) and is rigorously tested for consistency in batch-to-batch performance. Ideal for pharmaceutical research, materials science, and agrochemical development, this building block enables precise electrophilic aromatic substitution reactions. Packaged under inert gas in amber glass vials to ensure stability, each lot includes comprehensive analytical documentation (GC/MS, ¹H NMR, and elemental analysis).

Properties

• CAS Number: 95668-20-5
• Complexity: 243
• IUPAC Name: 4-bromo-2-nitro-1-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H3BrF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H
• InChI Key: OIGUXYDXDJIDCY-UHFFFAOYSA-N
• Exact Mass: 284.92484
• Molecular Formula: C7H3BrF3NO3
• Molecular Weight: 286.00
• SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])OC(F)(F)F
• Topological: 55.1
• Monoisotopic Mass: 284.92484
• Synonyms: 3-Nitro-4-(trifluoromethoxy)bromobenzene, 95668-20-5, 4-bromo-2-nitro-1-(trifluoromethoxy)benzene, 5-Bromo-2-(trifluoromethoxy)nitrobenzene, 4-Bromo-2-nitro(trifluoromethoxy)benzene, MFCD04039243, Benzene, 4-bromo-2-nitro-1-(trifluoromethoxy)-, 5-bromo-2-trifluoromethoxynitrobenzene, SCHEMBL2311099, DTXSID50381417, CK2313, SBB064723, 2-nitro-4-bromotrifluoromethoxybenzene, AKOS015890144, AC-26071, PS-10464, SY020763, CS-0040122

Application

This compound serves as a versatile precursor in the synthesis of advanced pharmaceutical intermediates, particularly for drugs targeting CNS disorders. The electron-withdrawing trifluoromethoxy group enhances reactivity in palladium-catalyzed cross-coupling reactions. Researchers utilize it to develop novel liquid crystal materials with improved thermal stability. In agrochemical research, it functions as a key intermediate for crop protection agents due to its halogenated aromatic structure.

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