Cas no 29548-91-2 (1,1-difluoro-1-phenylpropan-2-one)

1,1-Difluoro-1-phenylpropan-2-one is a fluorinated aromatic ketone with the molecular formula C9H8F2O. This compound is characterized by the presence of two fluorine atoms adjacent to a carbonyl group, enhancing its reactivity in synthetic applications. Its structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of fluorinated pharmaceuticals, agrochemicals, and specialty materials. The difluoromethyl group contributes to increased metabolic stability and lipophilicity, which can be advantageous in drug design. The compound’s well-defined reactivity profile allows for selective transformations, including nucleophilic additions and reductions. It is typically handled under controlled conditions due to its sensitivity to moisture and strong bases.
1,1-difluoro-1-phenylpropan-2-one structure
29548-91-2 structure
Product Name:1,1-difluoro-1-phenylpropan-2-one
CAS No:29548-91-2
MF:C9H8F2O
MW:170.156029701233
MDL:MFCD18815911
CID:239303
PubChem ID:11105787
Update Time:2025-11-02

1,1-difluoro-1-phenylpropan-2-one Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone,1,1-difluoro-1-phenyl-
    • 1,1-Difluoro-1-phenylacetone
    • 1-phenyl-1,1-difluoropropan-2-one
    • F75796
    • 1,1-difluoro-1-phenyl-propan-2-one
    • 1,1-difluoro-1-phenylpropan-2-one
    • EN300-251417
    • 29548-91-2
    • 1,1-Difluoro-1-phenyl-2-propanone
    • RUSAERAHUFWKED-UHFFFAOYSA-N
    • MFCD18815911
    • 2-Propanone, 1,1-difluoro-1-phenyl-
    • BS-44711
    • 2-Propanone, 1,1-difluoro-1-phenyl-
    • SCHEMBL11205832
    • DB-225846
    • MDL: MFCD18815911
    • Inchi: 1S/C9H8F2O/c1-7(12)9(10,11)8-5-3-2-4-6-8/h2-6H,1H3
    • InChI Key: RUSAERAHUFWKED-UHFFFAOYSA-N
    • SMILES: FC(C(C)=O)(C1C=CC=CC=1)F

Computed Properties

  • Exact Mass: 170.05434
  • Monoisotopic Mass: 170.05432120g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 171
  • 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: 2.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

1,1-difluoro-1-phenylpropan-2-one Pricemore >>

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1,1-difluoro-1-phenylpropan-2-one Related Literature

Additional information on 1,1-difluoro-1-phenylpropan-2-one

Comprehensive Guide to 1,1-Difluoro-1-phenylpropan-2-one (CAS No. 29548-91-2): Properties, Applications, and Market Insights

1,1-Difluoro-1-phenylpropan-2-one (CAS No. 29548-91-2) is a fluorinated organic compound that has garnered significant attention in recent years due to its unique chemical properties and versatile applications. This compound, also known as difluorophenylpropanone, belongs to the class of fluoroketones, which are increasingly being explored for their potential in various industrial and research applications. The presence of two fluorine atoms in its structure imparts distinct characteristics, making it a valuable intermediate in synthetic chemistry.

The molecular formula of 1,1-difluoro-1-phenylpropan-2-one is C9H8F2O, and it features a phenyl group attached to a propan-2-one backbone with two fluorine atoms at the 1-position. This structural arrangement contributes to its reactivity and stability, making it a sought-after compound in organic synthesis. Researchers and industries are particularly interested in its role as a building block for more complex molecules, especially in the pharmaceutical and agrochemical sectors.

One of the most notable properties of 29548-91-2 is its ability to participate in various chemical reactions, including nucleophilic substitutions and condensations. This reactivity is largely due to the electron-withdrawing effect of the fluorine atoms, which enhances the electrophilic character of the carbonyl carbon. As a result, 1,1-difluoro-1-phenylpropan-2-one is often used in the synthesis of fluorinated analogs of biologically active compounds, which are increasingly important in drug discovery and development.

In the pharmaceutical industry, difluorophenylpropanone has been explored as a key intermediate in the synthesis of potential therapeutic agents. Fluorinated compounds are known for their ability to improve the metabolic stability and bioavailability of drugs, and 1,1-difluoro-1-phenylpropan-2-one serves as a valuable precursor in this context. Recent studies have highlighted its utility in creating novel anti-inflammatory and antimicrobial agents, aligning with the growing demand for new treatments in these areas.

Beyond pharmaceuticals, 29548-91-2 finds applications in the agrochemical sector. Fluorinated compounds are widely used in the development of pesticides and herbicides due to their enhanced efficacy and environmental persistence. 1,1-Difluoro-1-phenylpropan-2-one can be utilized to synthesize advanced agrochemicals that address modern agricultural challenges, such as pest resistance and crop yield optimization. This aligns with the global focus on sustainable farming practices and food security.

The material science field also benefits from the unique properties of 1,1-difluoro-1-phenylpropan-2-one. Fluorinated organic compounds are often incorporated into polymers and coatings to impart desirable characteristics like chemical resistance, thermal stability, and low surface energy. Researchers are investigating the potential of difluorophenylpropanone in creating advanced materials for electronics, aerospace, and other high-tech industries.

From a market perspective, the demand for 29548-91-2 has been steadily increasing, driven by the expanding applications of fluorinated compounds across various industries. The compound's versatility as a synthetic intermediate positions it well in the specialty chemicals market. Recent trends indicate growing interest from Asia-Pacific regions, particularly in countries with robust pharmaceutical and agrochemical manufacturing sectors.

Quality control and purity are critical factors when working with 1,1-difluoro-1-phenylpropan-2-one. Suppliers typically provide the compound with purity levels exceeding 98%, ensuring its suitability for research and industrial applications. Analytical techniques such as GC-MS, HPLC, and NMR are commonly employed to verify the identity and purity of difluorophenylpropanone batches.

Storage and handling recommendations for 29548-91-2 include keeping the compound in a cool, dry place away from direct sunlight and moisture. While not classified as highly hazardous, standard laboratory safety precautions should be observed when handling this chemical, including the use of appropriate personal protective equipment.

The synthesis of 1,1-difluoro-1-phenylpropan-2-one typically involves fluorination reactions of appropriate precursors. Recent advancements in fluorination methodologies have improved the efficiency and yield of producing this compound, making it more accessible to researchers and manufacturers. Green chemistry approaches are being explored to make the production process more sustainable and environmentally friendly.

In terms of regulatory status, difluorophenylpropanone is not currently subject to stringent international controls, but users should always check local regulations before procurement and use. The compound's applications in legitimate research and industrial processes are well-documented, contributing to its positive standing in the chemical community.

Future research directions for 29548-91-2 include exploring its potential in emerging fields such as fluorinated liquid crystals for display technologies and as a precursor for novel fluorinated materials with specialized properties. The continuous development of fluorination techniques is expected to further expand the utility of 1,1-difluoro-1-phenylpropan-2-one in various scientific and industrial applications.

For researchers interested in working with 1,1-difluoro-1-phenylpropan-2-one, several commercial suppliers offer this compound in various quantities. It's advisable to review technical specifications and certificates of analysis before purchase to ensure the material meets specific research requirements. The compound's growing importance in synthetic chemistry suggests that its availability and applications will continue to expand in the coming years.

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