Cas no 30682-54-3 ((2-Fluorophenyl)(2-nitrophenyl)methanone)

(2-Fluorophenyl)(2-nitrophenyl)methanone structure
30682-54-3 structure
Product Name:(2-Fluorophenyl)(2-nitrophenyl)methanone
CAS No:30682-54-3
MF:C13H8FNO3
MW:245.205926895142
CID:1081267
PubChem ID:71748356
Update Time:2025-04-24

(2-Fluorophenyl)(2-nitrophenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • (2-Fluorophenyl)(2-nitrophenyl)methanone
    • (2-fluorophenyl)-(2-nitrophenyl)methanone
    • 2-Fluor-2'-nitrobenzophenon
    • 2-Fluoro-2'-nitrobenzophenone
    • 30682-54-3
    • DTXSID00857475
    • Inchi: 1S/C13H8FNO3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15(17)18/h1-8H
    • InChI Key: WPQNPQVCSISSQJ-UHFFFAOYSA-N
    • SMILES: FC1C=CC=CC=1C(C1C=CC=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 245.04900
  • Monoisotopic Mass: 245.04882128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 329
  • 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
  • Topological Polar Surface Area: 62.9?2

Experimental Properties

  • Density: 1.336
  • Boiling Point: 415.072°C at 760 mmHg
  • Flash Point: 204.828°C
  • Refractive Index: 1.597
  • PSA: 62.89000
  • LogP: 3.48810

(2-Fluorophenyl)(2-nitrophenyl)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%

(2-Fluorophenyl)(2-nitrophenyl)methanone Pricemore >>

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Additional information on (2-Fluorophenyl)(2-nitrophenyl)methanone

The Chemistry and Applications of (2-Fluorophenyl)(2-nitrophenyl)methanone (CAS No. 30682-54-3)

The compound (2-Fluorophenyl)(2-nitrophenyl)methanone (CAS No. 30682-54-3) is an aromatic ketone with a unique structure that combines a fluorophenyl group and a nitrophenyl group attached to a central carbonyl group. This compound has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science due to its versatile properties and potential applications. Recent advancements in synthetic methodologies and computational modeling have further enhanced our understanding of its chemical behavior and functionalization possibilities.

Structural Features and Synthesis

The molecule's structure is characterized by the presence of two electron-withdrawing groups: the fluorine atom on the phenyl ring and the nitro group on the adjacent phenyl ring. These groups significantly influence the electronic properties of the molecule, making it highly reactive in various chemical transformations. The synthesis of (2-Fluorophenyl)(2-nitrophenyl)methanone typically involves nucleophilic aromatic substitution or Friedel-Crafts acylation reactions, depending on the starting materials and reaction conditions. Recent studies have explored the use of transition metal catalysts to improve reaction efficiency and selectivity, paving the way for large-scale production.

Chemical Reactivity and Functionalization

Due to its electron-deficient aromatic rings, (2-Fluorophenyl)(2-nitrophenyl)methanone exhibits high reactivity towards nucleophilic attacks, making it a valuable precursor in organic synthesis. Researchers have successfully utilized this compound in the construction of heterocyclic compounds, which are essential building blocks in drug discovery and agrochemical development. Additionally, its ability to undergo photochemical reactions has opened new avenues for exploring light-induced transformations, a topic that has gained traction in sustainable chemistry.

Applications in Materials Science

In materials science, (2-Fluorophenyl)(2-nitrophenyl)methanone has been employed as a monomer in the synthesis of advanced polymers with tailored electronic properties. Its electron-withdrawing groups contribute to the formation of conjugated systems, which are critical for applications in organic electronics, such as light-emitting diodes (LEDs) and photovoltaic devices. Recent breakthroughs in polymer chemistry have demonstrated how this compound can be integrated into polymer networks to enhance their thermal stability and mechanical strength.

Pharmacological Potential

The pharmacological potential of (2-Fluorophenyl)(2-nitrophenyl)methanone lies in its ability to modulate cellular signaling pathways. Preclinical studies have shown that derivatives of this compound exhibit anti-inflammatory and anticancer activities by targeting specific protein kinases involved in disease progression. The nitro group's redox properties make it particularly promising for developing drugs that exploit reactive oxygen species (ROS) mechanisms, a growing area of interest in cancer therapy.

Environmental Considerations and Safety

While (2-Fluorophenyl)(2-nitrophenyl)methanone offers numerous benefits, its environmental impact remains a critical consideration. Studies have evaluated its biodegradability under various conditions, with findings suggesting that its persistence in aquatic environments is moderate. Regulatory frameworks are increasingly emphasizing the need for sustainable practices in chemical manufacturing, prompting researchers to explore greener synthesis routes for this compound.

Future Directions and Research Opportunities

The future of (2-Fluorophenyl)(2-nitrophenyl)methanone research lies in leveraging emerging technologies such as artificial intelligence (AI) for predictive modeling of its interactions with biological systems. Machine learning algorithms can accelerate drug discovery by identifying optimal structural modifications that enhance bioavailability while minimizing toxicity. Furthermore, the integration of this compound into nanotechnology applications holds promise for developing advanced drug delivery systems with improved targeting efficiency.

In conclusion, (2-Fluorophenyl)(2-nitrophenyl)methanone (CAS No. 30682-54-3) stands as a testament to the ingenuity of modern chemistry, offering diverse applications across multiple disciplines. As research continues to uncover new facets of its chemistry and functionality, this compound is poised to play an even more significant role in advancing scientific innovation.

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