Description

5-Bromo-1-chloro-2-fluoro-3-nitrobenzene (CAS No. 1435806-75-9) is a high-purity halogenated nitrobenzene derivative with the molecular formula C₆H₂BrClFNO₂. This compound is a versatile building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. Its unique substitution pattern (bromo, chloro, fluoro, and nitro groups on a benzene ring) enables selective functionalization for complex molecule construction. Available in >98% purity (HPLC), this reagent is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Ideal for Suzuki couplings, nucleophilic aromatic substitutions, and other transition-metal catalyzed reactions. Store under inert atmosphere at 2-8°C to maintain stability.

Key Attributes:
– Molecular Weight: 268.44 g/mol
– Exact Mass: 266.88 g/mol
– Hazard Codes: Xi (Irritant)
– RTECS: Not available
– MDL: MFCD24539370

Properties

• CAS Number: 1435806-75-9
• Complexity: 189
• IUPAC Name: 5-bromo-1-chloro-2-fluoro-3-nitro-benzene
• InChI: InChI=1S/C6H2BrClFNO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H
• InChI Key: PNEWAZPHMNCPPO-UHFFFAOYSA-N
• Exact Mass: 252.89415
• Molecular Formula: C6H2BrClFNO2
• Molecular Weight: 254.44
• SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])F)Cl)Br
• Topological: 45.8
• Monoisotopic Mass: 252.89415
• Synonyms: 5-Bromo-1-chloro-2-fluoro-3-nitrobenzene, 1435806-75-9, 5-Bromo-3-chloro-2-fluoronitrobenzene, MFCD24539370, SCHEMBL18669404, KHC80675, AKOS025404100, DS-10078, SY242060, 5-Bromo-3-chloro-2-fluoro-1-nitrobenzene, DB-253365, 5-bromo-1-chloro-2-fluoro-3-nitro-benzene, CS-0041412

Application

5-Bromo-1-chloro-2-fluoro-3-nitrobenzene serves as a key intermediate in pharmaceutical synthesis, particularly for creating multi-halogenated aniline derivatives used in drug discovery. Its reactive sites allow sequential functionalization, making it valuable for constructing complex heterocycles in medicinal chemistry. The compound is also employed in material science for developing liquid crystals and OLED materials, where its halogen-rich structure enables precise tuning of electronic properties.

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