Cas no 450-95-3 (2-Fluoroacetophenone)

2-Fluoroacetophenone (CAS 445-27-2) is a fluorinated aromatic ketone with the molecular formula C8H7FO. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its fluorine substituent enhances reactivity and stability, making it valuable for introducing fluorinated motifs into target molecules. The ketone functionality allows for further derivatization, including reductions or nucleophilic additions. 2-Fluoroacetophenone exhibits favorable physicochemical properties, such as moderate solubility in organic solvents and a defined melting point, ensuring consistent performance in reactions. Its utility in cross-coupling reactions and as a building block for bioactive compounds underscores its importance in fine chemical synthesis.
2-Fluoroacetophenone structure
2-Fluoroacetophenone structure
Product Name:2-Fluoroacetophenone
CAS No:450-95-3
MF:C8H7FO
MW:138.138985872269
MDL:MFCD08461612
CID:329595
PubChem ID:9947
Update Time:2025-10-29

2-Fluoroacetophenone Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-1-phenylethanone
    • 2-fluoro-1-phenylethan-1-one
    • 2-FLUOROACETOPHENONE
    • Ethanone,2-fluoro-1-phenyl-
    • 1-Fluoroacetophenone
    • 2'-FLUOROACETOPHENONE
    • ACETOPHENONE,2-FLUORO
    • EINECS 207-190-6
    • fluoroacetophenone
    • Phenacyl fluoride
    • Monofluoromethyl phenyl ketone
    • alpha-Fluoroacetophenone
    • omega-Fluoroacetophenone
    • Ethanone, 2-fluoro-1-phenyl-
    • fluoromethyl phenyl ketone
    • fluoro-acetophenone
    • 2-fluoro-acetophenone
    • 2-fluoro-1-phenyl-ethanone
    • KSC375K4J
    • 2-fluoranyl-1-phenyl-ethanone
    • AMBZ0003
    • 2-fluoro-1-phenyl ethan-1-one
    • YOMBUJAFGMOIGS-UHFFFAOYSA-N
    • FT-0648926
    • A826713
    • 2-fluoro acetophenone
    • MFCD08461612
    • BRN 1858991
    • ACETOPHENONE, 2-FLUORO-
    • AKOS006343501
    • CS-0037091
    • EN300-1272026
    • 450-95-3
    • DTXSID90196360
    • AS-39535
    • (fluoroacetyl)benzene
    • SCHEMBL157987
    • NS00042954
    • AM803925
    • DB-347050
    • C8H7FO
    • 2-Fluoroacetophenone
    • MDL: MFCD08461612
    • Inchi: 1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
    • InChI Key: YOMBUJAFGMOIGS-UHFFFAOYSA-N
    • SMILES: FCC(C1C=CC=CC=1)=O
    • BRN: 1858991

Computed Properties

  • Exact Mass: 138.04800
  • Monoisotopic Mass: 138.048093005g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 116
  • 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: 2.1
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 1.154 g/cm3 (20 oC)
  • Melting Point: 29 oC
  • Boiling Point: 108-110 oC (18 Torr)
  • Flash Point: 74.4±9.3 oC,
  • Refractive Index: 1.52 (589.3 nm 20 oC)
  • Solubility: Slightly soluble (2.2 g/l) (25 o C),
  • PSA: 17.07000
  • LogP: 1.83880

2-Fluoroacetophenone Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

2-Fluoroacetophenone Customs Data

  • HS CODE:29147000
  • 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-Fluoroacetophenone Pricemore >>

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2-Fluoroacetophenone Related Literature

Additional information on 2-Fluoroacetophenone

2-Fluoroacetophenone (CAS No. 450-95-3): An Overview of Its Properties, Applications, and Recent Research

2-Fluoroacetophenone (CAS No. 450-95-3) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, pharmaceuticals, and materials science. This compound, also known as 2-fluorophenyl acetone, is characterized by its unique chemical structure, which includes a fluoro substituent on the phenyl ring and an acetone functional group. The combination of these features makes it a valuable intermediate in the synthesis of various bioactive molecules and pharmaceuticals.

The molecular formula of 2-Fluoroacetophenone is C8H7FO, and its molecular weight is 144.14 g/mol. It is a colorless to pale yellow liquid with a characteristic aromatic odor. The compound is soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water. These physical properties make it suitable for use in a wide range of chemical reactions and processes.

In the realm of organic synthesis, 2-Fluoroacetophenone serves as a key building block for the preparation of more complex molecules. Its reactivity stems from the presence of the ketone group, which can undergo various nucleophilic addition reactions, and the fluoro substituent, which can influence the electronic properties of the molecule. For instance, it can be used in the synthesis of fluorinated heterocycles, which are important intermediates in the development of novel pharmaceuticals and agrochemicals.

Recent research has highlighted the potential of 2-Fluoroacetophenone in the development of new therapeutic agents. A study published in the *Journal of Medicinal Chemistry* reported that derivatives of 2-Fluoroacetophenone exhibit potent antitumor activity against various cancer cell lines. The fluoro substituent was found to enhance the lipophilicity and cell membrane permeability of these compounds, thereby improving their biological activity. This finding opens up new avenues for the design and synthesis of more effective anticancer drugs.

Beyond its applications in pharmaceuticals, 2-Fluoroacetophenone has also found use in materials science. Its unique electronic properties make it a valuable precursor for the synthesis of fluorinated polymers and fluorinated small molecules with potential applications in electronics and coatings. For example, fluorinated polymers derived from 2-Fluoroacetophenone have been shown to exhibit excellent thermal stability and chemical resistance, making them suitable for high-performance applications.

The environmental impact of 2-Fluoroacetophenone is another area of active research. A study published in *Environmental Science & Technology* investigated the biodegradability and ecotoxicity of this compound. The results indicated that while 2-Fluoroacetophenone is not readily biodegradable under standard conditions, it does not exhibit significant ecotoxicity at environmentally relevant concentrations. This information is crucial for assessing its environmental safety and guiding its responsible use.

In conclusion, 2-Fluoroacetophenone (CAS No. 450-95-3) is a multifaceted compound with a wide range of applications in organic synthesis, pharmaceuticals, and materials science. Its unique chemical structure and reactivity make it an invaluable intermediate in the development of novel bioactive molecules and advanced materials. Ongoing research continues to uncover new possibilities for its use, further solidifying its importance in modern chemistry.

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