Cas no 10540-32-6 (1-Fluoro-4-(3-nitrophenyl)benzene)

1-Fluoro-4-(3-nitrophenyl)benzene is a fluorinated aromatic compound featuring a nitro-substituted phenyl ring attached to a fluorobenzene core. This structure combines electron-withdrawing groups (fluoro and nitro) that enhance its reactivity in electrophilic and nucleophilic substitution reactions, making it valuable in synthetic organic chemistry. The compound exhibits high thermal stability and is commonly employed as an intermediate in pharmaceuticals, agrochemicals, and advanced material synthesis. Its precise molecular architecture allows for selective functionalization, enabling tailored modifications in complex molecular frameworks. The presence of both fluoro and nitro groups also contributes to its utility in cross-coupling reactions and as a precursor for further derivatization. Suitable for controlled reactions under inert conditions, it is typically handled in specialized laboratory environments.
1-Fluoro-4-(3-nitrophenyl)benzene structure
10540-32-6 structure
Product Name:1-Fluoro-4-(3-nitrophenyl)benzene
CAS No:10540-32-6
MF:C12H8FNO2
MW:217.195826530457
MDL:MFCD21332988
CID:1153274
PubChem ID:53913352
Update Time:2025-07-02

1-Fluoro-4-(3-nitrophenyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl, 4'-fluoro-3-nitro-
    • 1-(4-fluorophenyl)-3-nitrobenzene
    • 1-Fluoro-4-(3-nitrophenyl)benzene
    • 4'-Fluoro-3-nitro-1,1'-biphenyl
    • CS-0211931
    • DTXSID50707618
    • 10540-32-6
    • MFCD21332988
    • SCHEMBL20557373
    • BS-26345
    • MDL: MFCD21332988
    • Inchi: 1S/C12H8FNO2/c13-11-6-4-9(5-7-11)10-2-1-3-12(8-10)14(15)16/h1-8H
    • InChI Key: FFZJARKPNHJFMC-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)C1C=CC=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 217.05394
  • Monoisotopic Mass: 217.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 246
  • 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: 4
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 43.14
  • LogP: 3.92410

1-Fluoro-4-(3-nitrophenyl)benzene Pricemore >>

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Additional information on 1-Fluoro-4-(3-nitrophenyl)benzene

Recent Advances in the Study of 1-Fluoro-4-(3-nitrophenyl)benzene (CAS: 10540-32-6) in Chemical Biology and Pharmaceutical Research

1-Fluoro-4-(3-nitrophenyl)benzene (CAS: 10540-32-6) is a fluorinated aromatic compound that has recently garnered significant attention in chemical biology and pharmaceutical research due to its unique structural properties and potential applications in drug discovery and material science. This compound, characterized by the presence of a fluorine atom and a nitro group on a biphenyl scaffold, exhibits interesting electronic and steric properties that make it a valuable building block for the synthesis of more complex molecules. Recent studies have explored its utility as a precursor in the development of novel pharmaceuticals, agrochemicals, and advanced materials.

One of the key areas of research involving 1-Fluoro-4-(3-nitrophenyl)benzene is its role in the synthesis of bioactive molecules. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its use as an intermediate in the preparation of kinase inhibitors, which are critical in the treatment of various cancers. The fluorine atom in the compound enhances the binding affinity of the resulting inhibitors to their target proteins, while the nitro group facilitates further functionalization. This study highlights the compound's potential in the design of next-generation therapeutics with improved efficacy and selectivity.

In addition to its pharmaceutical applications, 1-Fluoro-4-(3-nitrophenyl)benzene has been investigated for its utility in material science. Researchers have utilized its electron-withdrawing nitro group and the electron-donating fluorine atom to create novel organic semiconductors. A 2024 paper in Advanced Materials reported the synthesis of a series of conjugated polymers incorporating this compound, which exhibited enhanced charge transport properties. These findings suggest that 1-Fluoro-4-(3-nitrophenyl)benzene could play a pivotal role in the development of organic electronic devices, such as flexible displays and solar cells.

Another noteworthy application of this compound is in the field of agrochemicals. Recent studies have explored its derivatives as potential herbicides and fungicides. The nitro group's reactivity allows for the introduction of various substituents, enabling the fine-tuning of biological activity. A 2023 study in Pest Management Science demonstrated that derivatives of 1-Fluoro-4-(3-nitrophenyl)benzene exhibited strong herbicidal activity against common weeds, with minimal toxicity to non-target organisms. This research underscores the compound's potential in sustainable agriculture.

Despite its promising applications, challenges remain in the large-scale synthesis and purification of 1-Fluoro-4-(3-nitrophenyl)benzene. Recent advancements in catalytic fluorination and nitro-group reduction have addressed some of these issues, as reported in a 2024 Organic Process Research & Development article. The development of more efficient synthetic routes is expected to further enhance the accessibility of this compound for industrial and academic research.

In conclusion, 1-Fluoro-4-(3-nitrophenyl)benzene (CAS: 10540-32-6) is a versatile compound with significant potential in multiple domains of chemical biology and pharmaceutical research. Its unique structural features enable diverse applications, from drug discovery to material science and agrochemical development. Ongoing research aims to overcome synthetic challenges and expand its utility, making it a compound of enduring interest in the scientific community.

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