Description

5-(Bromomethyl)-1,3-difluoro-2-nitrobenzene (CAS No. 1123172-90-6) is a high-purity aromatic compound with the molecular formula C₇H₄BrF₂NO₂. This specialized chemical features a bromomethyl group and nitro functionality on a difluorinated benzene ring, making it a valuable intermediate for synthetic organic chemistry and pharmaceutical research. Its unique structure enables selective functionalization in cross-coupling reactions, nucleophilic substitutions, and other transformations. Suitable for use in medicinal chemistry, agrochemical development, and materials science, this compound is rigorously tested for quality and consistency. Available in various quantities with detailed analytical data (GC/HPLC, NMR) to ensure reproducibility in your research applications.

Properties

• CAS Number: 1123172-90-6
• Complexity: 187
• IUPAC Name: 5-(bromomethyl)-1,3-difluoro-2-nitro-benzene
• InChI: InChI=1S/C7H4BrF2NO2/c8-3-4-1-5(9)7(11(12)13)6(10)2-4/h1-2H,3H2
• InChI Key: HHGDRLWUNUBJEF-UHFFFAOYSA-N
• Exact Mass: 250.93935
• Molecular Formula: C7H4BrF2NO2
• Molecular Weight: 252.01
• SMILES: C1=C(C=C(C(=C1F)[N+](=O)[O-])F)CBr
• Topological: 45.8
• Monoisotopic Mass: 250.93935
• Synonyms: 5-(bromomethyl)-1,3-difluoro-2-nitrobenzene, 1123172-90-6, Benzene, 5-(bromomethyl)-1,3-difluoro-2-nitro-, SCHEMBL309792, HHGDRLWUNUBJEF-UHFFFAOYSA-N, DTXSID601262029, 3,5-Difluoro-4-nitrobenzylbromide, 5-Bromomethyl-1,3-difluoro-2-nitro-benzene

Application

5-(Bromomethyl)-1,3-difluoro-2-nitrobenzene serves as a versatile building block in the synthesis of complex molecules, particularly in pharmaceutical and agrochemical research. Its reactive bromomethyl and nitro groups facilitate the construction of heterocycles or functionalized aromatic systems via Suzuki, Heck, or Buchwald-Hartwig couplings. The compound is also employed in the development of fluorinated bioactive compounds, leveraging its difluoro-substituted benzene core. Researchers utilize it in the design of kinase inhibitors, PET radiotracers, and other small-molecule therapeutics.

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