Cas no 96719-99-2 ((3-Fluorophenyl)(4-methoxyphenyl)methanone)

(3-Fluorophenyl)(4-methoxyphenyl)methanone structure
96719-99-2 structure
Product Name:(3-Fluorophenyl)(4-methoxyphenyl)methanone
CAS No:96719-99-2
MF:C14H11FO2
MW:230.234347581863
CID:751336
PubChem ID:13467539
Update Time:2025-04-23

(3-Fluorophenyl)(4-methoxyphenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • (3-Fluorophenyl)(4-methoxyphenyl)methanone
    • (3-fluorophenyl)-(4-methoxyphenyl)methanone
    • 3-FLUORO-4'-METHOXYBENZOPHENONE
    • Methanone, (3-fluorophenyl)(4-methoxyphenyl)-
    • 3-Fluor-4'-methoxy-benzophenon
    • 3-Fluorophenyl 4-methoxyphenyl ketone
    • p-Methoxy-m'-fluorbenzophenon
    • MFCD01311581
    • SCHEMBL2784166
    • BS-24835
    • 96719-99-2
    • DTXSID60541585
    • (3-Fluoro-phenyl)-(4-methoxy-phenyl)-methanone
    • AKOS009347141
    • MNNPLRRABKSPDN-UHFFFAOYSA-N
    • MDL: MFCD01311581
    • Inchi: 1S/C14H11FO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
    • InChI Key: MNNPLRRABKSPDN-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C(C1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 230.07400
  • Monoisotopic Mass: 230.07430775g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 259
  • 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: 3.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 3.06530

(3-Fluorophenyl)(4-methoxyphenyl)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-Fluorophenyl)(4-methoxyphenyl)methanone Production Method

(3-Fluorophenyl)(4-methoxyphenyl)methanone Related Literature

Additional information on (3-Fluorophenyl)(4-methoxyphenyl)methanone

Introduction to (3-Fluorophenyl)(4-methoxyphenyl)methanone (CAS No: 96719-99-2)

The compound (3-Fluorophenyl)(4-methoxyphenyl)methanone, with the CAS registry number 96719-99-2, is an aromatic ketone derivative that has garnered significant attention in the fields of organic chemistry, pharmacology, and material science. This compound is characterized by its unique molecular structure, which consists of a fluorophenyl group and a methoxyphenyl group connected through a carbonyl group. The presence of these substituents imparts distinct electronic and steric properties to the molecule, making it a versatile building block in various chemical reactions and applications.

Recent advancements in synthetic chemistry have highlighted the importance of (3-Fluorophenyl)(4-methoxyphenyl)methanone as a key intermediate in the synthesis of bioactive compounds. For instance, researchers have utilized this compound as a precursor in the development of novel anti-inflammatory agents and potential anticancer drugs. The fluorine atom in the 3-position of the phenyl ring contributes to the molecule's lipophilicity, enhancing its ability to cross biological membranes, while the methoxy group at the 4-position introduces electron-donating effects, which can influence the reactivity of the carbonyl group.

In addition to its role in drug discovery, (3-Fluorophenyl)(4-methoxyphenyl)methanone has been explored for its potential in materials science. Recent studies have demonstrated its ability to form stable coordination complexes with transition metals, which could be exploited in catalytic applications. The molecule's aromaticity and conjugated system also make it a candidate for use in organic electronics, particularly in the development of light-emitting diodes (LEDs) and photovoltaic devices.

The synthesis of (3-Fluorophenyl)(4-methoxyphenyl)methanone typically involves nucleophilic aromatic substitution or Friedel-Crafts acylation reactions. These methods have been optimized to achieve high yields and selectivity, ensuring that the compound can be produced efficiently on both laboratory and industrial scales. The purity and stability of the compound are critical factors in determining its suitability for various applications, and modern analytical techniques such as high-performance liquid chromatography (HPLC) and mass spectrometry are employed to ensure quality control.

From an environmental perspective, understanding the fate and transport of (3-Fluorophenyl)(4-methoxyphenyl)methanone in natural systems is essential for assessing its potential impact on ecosystems. Recent research has focused on evaluating its biodegradability under different environmental conditions, with findings suggesting that the compound undergoes rapid microbial degradation under aerobic conditions. This information is crucial for guiding safe handling practices and minimizing ecological risks associated with its use.

In conclusion, (3-Fluorophenyl)(4-methoxyphenyl)methanone (CAS No: 96719-99-2) is a multifaceted compound with diverse applications across various scientific disciplines. Its unique chemical properties, coupled with ongoing advancements in synthetic and analytical techniques, continue to expand its utility in both academic research and industrial settings. As researchers delve deeper into its potential, this compound is poised to play an increasingly significant role in shaping future innovations in chemistry and related fields.

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