Cas no 1806979-60-1 (1-Bromo-3-fluoro-2-methyl-4-nitrobenzene)

1-Bromo-3-fluoro-2-methyl-4-nitrobenzene structure
1806979-60-1 structure
Product Name:1-Bromo-3-fluoro-2-methyl-4-nitrobenzene
CAS No:1806979-60-1
MF:C7H5BrFNO2
MW:234.0225045681
MDL:MFCD27935488
CID:4618077
PubChem ID:75485693
Update Time:2025-09-24

1-Bromo-3-fluoro-2-methyl-4-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-3-fluoro-2-methyl-4-nitrobenzene
    • 6-Bromo-2-fluoro-3-nitrotoluene
    • Benzene, 1-bromo-3-fluoro-2-methyl-4-nitro-
    • XH0605
    • 1806979-60-1
    • MFCD27935488
    • SCHEMBL22032838
    • BS-31381
    • 1-bromo-3-fluoro-2-methyl-4-nitro-benzene
    • SY323824
    • CS-0433648
    • E80101
    • 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene
    • MDL: MFCD27935488
    • Inchi: 1S/C7H5BrFNO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
    • InChI Key: QBGAYJKEQXTZQS-UHFFFAOYSA-N
    • SMILES: C1(Br)=CC=C([N+]([O-])=O)C(F)=C1C

Computed Properties

  • Exact Mass: 232.94877g/mol
  • Monoisotopic Mass: 232.94877g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 185
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 45.8?2

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Additional information on 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene

Recent Advances in the Application of 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene (CAS: 1806979-60-1) in Chemical and Pharmaceutical Research

The compound 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene (CAS: 1806979-60-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile reactivity and potential applications in drug discovery and material science. This research brief aims to summarize the latest findings and advancements related to this compound, focusing on its synthesis, reactivity, and applications in medicinal chemistry.

Recent studies have highlighted the role of 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene as a key intermediate in the synthesis of complex organic molecules. Its unique structural features, including the presence of bromo, fluoro, and nitro functional groups, make it an attractive building block for the construction of pharmacologically active compounds. For instance, researchers have successfully utilized this compound in the development of novel kinase inhibitors, which show promise in targeting cancer-related signaling pathways.

In a study published in the Journal of Medicinal Chemistry, scientists demonstrated the efficient coupling of 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene with various heterocyclic scaffolds via palladium-catalyzed cross-coupling reactions. This approach enabled the rapid synthesis of a library of compounds with potential anti-inflammatory and antimicrobial properties. The study also reported improved yields and selectivity compared to traditional methods, underscoring the compound's utility in modern synthetic chemistry.

Another significant application of 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene lies in its use as a precursor for the development of fluorescent probes. Researchers have exploited its nitro group for selective reduction and subsequent conjugation with fluorophores, resulting in probes capable of detecting reactive oxygen species (ROS) in biological systems. These probes have been instrumental in advancing our understanding of oxidative stress-related diseases, such as neurodegenerative disorders and cardiovascular conditions.

Furthermore, computational studies have provided insights into the electronic properties and reactivity patterns of 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene. Density functional theory (DFT) calculations have revealed that the electron-withdrawing effects of the nitro and fluoro groups significantly influence the compound's behavior in nucleophilic aromatic substitution reactions. These findings have guided the design of more efficient synthetic routes and the optimization of reaction conditions for industrial-scale production.

In conclusion, 1-Bromo-3-fluoro-2-methyl-4-nitrobenzene (CAS: 1806979-60-1) continues to be a valuable tool in chemical and pharmaceutical research. Its multifaceted applications, ranging from drug discovery to material science, highlight its importance in advancing scientific knowledge and technological innovation. Future research efforts should focus on exploring its potential in emerging fields, such as targeted drug delivery and bioimaging, to further expand its utility in the life sciences.

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