Cas no 133117-00-7 (2-chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one)

2-Chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one is a fluorinated aromatic ketone derivative with potential applications in pharmaceutical and agrochemical synthesis. Its structure, featuring chloro and difluoro substituents on the phenyl ring, enhances reactivity and selectivity in nucleophilic substitution and coupling reactions. The compound serves as a versatile intermediate for constructing complex molecules, particularly in the development of bioactive compounds. The presence of electron-withdrawing groups improves its stability and facilitates further functionalization under controlled conditions. Its high purity and well-defined chemical properties make it suitable for research and industrial-scale processes requiring precise molecular modifications. Proper handling is advised due to its reactive chloroacetyl moiety.
2-chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one structure
133117-00-7 structure
Product Name:2-chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one
CAS No:133117-00-7
MF:C8H4Cl2F2O
MW:225.019567489624
MDL:MFCD28751276
CID:1232122
PubChem ID:14818267
Update Time:2025-10-10

2-chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 2-chloro-1-(2-chloro-4,5-difluorophenyl)-
    • 2-chloro-1-(2-chloro-4,5-difluorophenyl)ethanone
    • 2-chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one
    • SCHEMBL9516561
    • 2'-Chloro-4',5'-difluorophenacyl chloride
    • 133117-00-7
    • EN300-1965529
    • DTXSID10564380
    • MDL: MFCD28751276
    • Inchi: 1S/C8H4Cl2F2O/c9-3-8(13)4-1-6(11)7(12)2-5(4)10/h1-2H,3H2
    • InChI Key: IRFMSGMTDMINPP-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=CC=1C(CCl)=O)F)F

Computed Properties

  • Exact Mass: 223.96100
  • Monoisotopic Mass: 223.9607265g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 201
  • 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: 3.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 3.03970

2-chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one Pricemore >>

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2-chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one Production Method

Additional information on 2-chloro-1-(2-chloro-4,5-difluorophenyl)ethan-1-one

2-Chloro-1-(2-Chloro-4,5-Difluorophenyl)Ethan-1-One: A Comprehensive Overview

2-Chloro-1-(2-Chloro-4,5-Difluorophenyl)Ethan-1-One, also known by its CAS Registry Number CAS No. 133117-00-7, is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a chlorinated phenyl group and a ketone functional group. The presence of multiple halogen atoms (chlorine and fluorine) in its molecular framework imparts distinctive chemical and physical properties, making it an interesting subject for both academic research and industrial applications.

The molecular structure of 2-Chloro-1-(2-Chloro-4,5-Difluorophenyl)Ethan-1-One consists of a phenyl ring substituted with chlorine and fluorine atoms at the 2, 4, and 5 positions. The ketone group is attached to the phenyl ring via a methylene bridge, which introduces additional electronic effects into the molecule. This arrangement not only enhances the compound's stability but also contributes to its reactivity in various chemical reactions.

Recent studies have highlighted the potential of this compound as an intermediate in the synthesis of advanced materials and pharmaceutical agents. For instance, researchers have explored its role in the development of novel drug delivery systems, where its unique electronic properties enable controlled release mechanisms. Additionally, its application in organic electronics has been investigated, particularly in the context of developing high-performance semiconductors and optoelectronic devices.

The synthesis of 2-Chloro-1-(2-Chloro-4,5-Difluorophenyl)Ethan-1-One typically involves multi-step organic reactions, including Friedel-Crafts acylation and subsequent halogenation processes. These methods have been optimized to achieve high yields and purity levels, ensuring the compound's suitability for demanding applications. Furthermore, advancements in catalytic techniques have enabled more efficient production methods, reducing costs and environmental impact.

In terms of physical properties, this compound exhibits a high melting point due to its rigid molecular structure and strong intermolecular forces. Its solubility in common organic solvents is moderate, making it suitable for use in various solution-based chemical processes. The compound's UV-vis absorption characteristics have also been studied extensively, revealing potential applications in photovoltaic materials and sensors.

The chemical reactivity of 2-Chloro-1-(2-Chloro-4,5-Difluorophenyl)Ethan-1-One is influenced by the electron-withdrawing effects of the halogen atoms. These effects enhance the electrophilicity of the carbonyl group, making it a valuable precursor in nucleophilic addition reactions. Recent research has demonstrated its utility in the synthesis of bioactive molecules, where it serves as a key intermediate in constructing complex heterocyclic frameworks.

In conclusion, 2-Chloro-1-(2-Chloro-4,5-Difluorophenyl)Ethan-1-One (CAS No. 133117-00-7) stands out as a versatile compound with promising applications across multiple disciplines. Its unique structure, combined with advancements in synthetic methodologies and material science research, positions it as a valuable tool for future innovations in chemistry and related fields.

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