Cas no 75762-58-2 ((3-Bromophenyl)(3-fluorophenyl)methanone)

(3-Bromophenyl)(3-fluorophenyl)methanone is a bifunctional aromatic ketone featuring both bromo and fluoro substituents on separate phenyl rings. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research, where its distinct halogenated structure enables selective cross-coupling reactions (e.g., Suzuki or Buchwald-Hartwig). The electron-withdrawing fluorine enhances reactivity in nucleophilic substitutions, while the bromine offers a handle for further functionalization. Its crystalline solid form ensures stability under standard conditions, facilitating handling and storage. The compound’s defined purity (>97% by GC/HPLC) and consistent batch-to-batch reproducibility make it a reliable choice for precision applications in medicinal chemistry and material science.
(3-Bromophenyl)(3-fluorophenyl)methanone structure
75762-58-2 structure
Product Name:(3-Bromophenyl)(3-fluorophenyl)methanone
CAS No:75762-58-2
MF:C13H8BrFO
MW:279.104426383972
CID:876922
PubChem ID:19780750
Update Time:2025-11-06

(3-Bromophenyl)(3-fluorophenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • (3-Bromophenyl)(3-fluorophenyl)methanone
    • (3-bromophenyl)-(3-fluorophenyl)methanone
    • 3-BROMO-3'-FLUOROBENZOPHENONE
    • m-Brom-m'-fluorbenzophenon
    • SCHEMBL9353591
    • Z513734472
    • CS-0207533
    • AKOS010013922
    • BS-24532
    • MFCD09801599
    • DTXSID50599853
    • EN300-106356
    • 75762-58-2
    • MDL: MFCD09801599
    • Inchi: 1S/C13H8BrFO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
    • InChI Key: KGAQUGKHKYDPDW-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C(C1C=CC=C(C=1)F)=O

Computed Properties

  • Exact Mass: 277.97400
  • Monoisotopic Mass: 277.97426g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 256
  • 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: 4.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 3.81920

(3-Bromophenyl)(3-fluorophenyl)methanone Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

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(3-Bromophenyl)(3-fluorophenyl)methanone Production Method

Additional information on (3-Bromophenyl)(3-fluorophenyl)methanone

Comprehensive Analysis of (3-Bromophenyl)(3-fluorophenyl)methanone (CAS No. 75762-58-2): Properties, Applications, and Industry Trends

(3-Bromophenyl)(3-fluorophenyl)methanone, identified by its CAS No. 75762-58-2, is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This aromatic ketone derivative features a unique molecular structure combining bromine and fluorine substituents, which contribute to its distinct electronic properties and reactivity. As researchers increasingly explore halogenated compounds for their potential in drug discovery and advanced materials, this compound has emerged as a valuable building block in synthetic chemistry.

The compound's dual-functional design makes it particularly relevant in current structure-activity relationship (SAR) studies, where researchers investigate how subtle molecular modifications affect biological activity. With the growing demand for fluorinated pharmaceuticals (a market projected to exceed $26 billion by 2025), 75762-58-2 serves as a crucial intermediate in developing novel therapeutic agents. Its electron-withdrawing properties and ability to influence molecular conformation make it especially valuable in designing kinase inhibitors and central nervous system (CNS) drugs.

From a materials science perspective, (3-Bromophenyl)(3-fluorophenyl)methanone demonstrates potential applications in organic electronics and liquid crystal formulations. The compound's dipole moment and π-conjugation system contribute to interesting photophysical properties that researchers are exploring for OLED materials and molecular sensors. Recent studies published in Advanced Materials (2023) highlight how similar fluorinated aromatic ketones can enhance charge transport in organic semiconductors.

Synthetic accessibility remains a key advantage of CAS 75762-58-2. The compound can be efficiently prepared through Friedel-Crafts acylation reactions between appropriate bromobenzene and fluorobenzene derivatives. This synthetic versatility has made it a popular choice for high-throughput screening libraries and combinatorial chemistry approaches. Pharmaceutical companies particularly value its role in developing proteolysis targeting chimeras (PROTACs), where its bifunctional nature enables precise molecular design.

Environmental and regulatory considerations for 75762-58-2 align with general guidelines for halogenated aromatic compounds. Proper handling requires standard laboratory precautions, and the compound's stability profile makes it suitable for various industrial applications. Researchers should note that while the bromine substituent enhances reactivity in coupling reactions, the fluorine atom contributes to metabolic stability - a crucial factor in medicinal chemistry optimization.

Emerging applications in agrochemical research have further expanded the utility of this compound. Its structural features show promise in developing new crop protection agents with improved environmental profiles. The European Chemical Agency (ECHA) database indicates growing interest in similar structures for sustainable pesticide development, particularly those targeting resistant pest strains while minimizing ecological impact.

Quality control parameters for (3-Bromophenyl)(3-fluorophenyl)methanone typically include HPLC purity verification (>98%), proper characterization by 1H/13C NMR spectroscopy, and mass spectrometry confirmation. Suppliers often provide technical data sheets detailing storage conditions (generally room temperature under inert atmosphere) and solubility characteristics (soluble in common organic solvents like DCM and THF). These specifications ensure reproducibility in research applications across different laboratories.

Future research directions for CAS No. 75762-58-2 may explore its potential in metal-organic frameworks (MOFs) and as a ligand in transition metal catalysis. The compound's ability to participate in various cross-coupling reactions (such as Suzuki-Miyaura or Buchwald-Hartwig couplings) makes it particularly valuable in these developing fields. As the scientific community continues to emphasize green chemistry principles, researchers are investigating more sustainable synthetic routes to this and related diaryl ketone derivatives.

For researchers sourcing this compound, it's essential to verify suppliers' credentials and request complete analytical data. Reputable manufacturers typically provide batch-specific certificates of analysis, including chromatograms and spectroscopic validation. The global market for such specialized intermediates continues to grow, with increasing demand from both academic institutions and industrial R&D facilities engaged in small molecule drug discovery and functional materials development.

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