Cas no 19225-86-6 (1-(pentafluorophenyl)propan-2-one)

1-(Pentafluorophenyl)propan-2-one is a fluorinated aromatic ketone characterized by the presence of a pentafluorophenyl group attached to a propan-2-one backbone. This compound is of interest in synthetic chemistry due to its electron-deficient aromatic ring, which enhances reactivity in nucleophilic substitution and cross-coupling reactions. The pentafluorophenyl moiety imparts high thermal and chemical stability, making it suitable for applications in advanced material synthesis and pharmaceutical intermediates. Its unique electronic properties also facilitate its use as a building block in the development of specialty chemicals and ligands for catalysis. The compound’s well-defined structure and predictable reactivity contribute to its utility in precision organic synthesis.
1-(pentafluorophenyl)propan-2-one structure
19225-86-6 structure
Product Name:1-(pentafluorophenyl)propan-2-one
CAS No:19225-86-6
MF:C9H5F5O
MW:224.127420186996
MDL:MFCD03410493
CID:3856411
PubChem ID:13621309
Update Time:2025-10-28

1-(pentafluorophenyl)propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone, 1-(pentafluorophenyl)-
    • 1-(2,3,4,5,6-Pentafluorophenyl)-2-propanone
    • 1-(Pentafluorophenyl)-2-propanone
    • 1-(perfluorophenyl)propan-2-one
    • 1-(pentafluorophenyl)propan-2-one
    • 1-(2,3,4,5,6-pentafluorophenyl)propan-2-one
    • FP66518
    • EN300-243873
    • (2,3,4,5,6-Pentafluorophenyl)cetone
    • SCHEMBL12650846
    • 19225-86-6
    • MDL: MFCD03410493
    • Inchi: 1S/C9H5F5O/c1-3(15)2-4-5(10)7(12)9(14)8(13)6(4)11/h2H2,1H3
    • InChI Key: UEYLUHZTMXOIMB-UHFFFAOYSA-N
    • SMILES: C(C1=C(F)C(F)=C(F)C(F)=C1F)C(=O)C

Computed Properties

  • Exact Mass: 224.02605559Da
  • Monoisotopic Mass: 224.02605559Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 231
  • 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
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.428±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 35.5-36.5 oC
  • Boiling Point: 42-48 oC (0.05-0.1 Torr)
  • Flash Point: 68.5±20.1 oC,
  • Solubility: Almost insoluble (0.027 g/l) (25 o C),

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Additional information on 1-(pentafluorophenyl)propan-2-one

1-(Pentafluorophenyl)propan-2-one (CAS No. 19225-86-6): A Comprehensive Overview

1-(Pentafluorophenyl)propan-2-one, also known by its CAS number 19225-86-6, is a versatile organic compound with a unique structure and a wide range of applications in the fields of chemistry, biology, and pharmaceuticals. This compound is characterized by its pentafluorophenyl group and a ketone functional group, making it an important intermediate in various synthetic pathways.

The molecular formula of 1-(Pentafluorophenyl)propan-2-one is C9H5F5O, and its molecular weight is approximately 230.13 g/mol. The compound is a colorless liquid with a distinct odor and is soluble in common organic solvents such as dichloromethane, ethyl acetate, and acetonitrile. Its physical and chemical properties make it suitable for use in a variety of chemical reactions and processes.

In recent years, 1-(Pentafluorophenyl)propan-2-one has gained significant attention due to its potential applications in the development of new pharmaceuticals and materials. The pentafluorophenyl group, in particular, has been shown to enhance the stability and reactivity of molecules, making it a valuable functional group in organic synthesis.

One of the key areas where 1-(Pentafluorophenyl)propan-2-one has found application is in the synthesis of fluorinated compounds. Fluorine atoms are known for their unique electronic properties, which can significantly influence the biological activity and pharmacokinetic properties of molecules. For instance, the introduction of fluorine atoms into drug molecules can improve their metabolic stability, enhance their binding affinity to target proteins, and reduce their toxicity.

Recent studies have explored the use of 1-(Pentafluorophenyl)propan-2-one as a building block for the synthesis of fluorinated pharmaceuticals. A notable example is its use in the development of new anti-cancer drugs. Researchers have demonstrated that 1-(Pentafluorophenyl)propan-2-one can be used to synthesize compounds with enhanced anti-tumor activity by incorporating it into the structure of existing drugs or designing new molecules from scratch.

In addition to its applications in pharmaceuticals, 1-(Pentafluorophenyl)propan-2-one has also been investigated for its potential use in materials science. The presence of the pentafluorophenyl group can impart unique properties to polymers and other materials, such as improved thermal stability and enhanced mechanical strength. This makes it a promising candidate for the development of advanced materials with tailored properties for specific applications.

The synthesis of 1-(Pentafluorophenyl)propan-2-one typically involves several steps, including the formation of the pentafluorophenyl intermediate and subsequent reactions to introduce the ketone functional group. Various methods have been reported in the literature, each with its own advantages and limitations. For example, one common approach involves the reaction of pentafluoroiodobenzene with an appropriate ketone precursor under suitable conditions.

The safety profile of 1-(Pentafluorophenyl)propan-2-one is an important consideration for its use in various applications. While it is generally considered safe when handled properly, appropriate precautions should be taken to avoid exposure to high concentrations or prolonged contact with skin or eyes. It is important to follow standard laboratory safety protocols when working with this compound.

In conclusion, 1-(Pentafluorophenyl)propan-2-one (CAS No. 19225-86-6) is a versatile organic compound with significant potential in multiple fields. Its unique structure and properties make it an important intermediate in organic synthesis, particularly in the development of new pharmaceuticals and advanced materials. Ongoing research continues to uncover new applications and improve our understanding of this fascinating compound.

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