Cas no 5157-57-3 (2,2-dichloro-1-(4-chlorophenyl)ethanone)

2,2-Dichloro-1-(4-chlorofenil)etanona es un compuesto orgánico cristalino de fórmula molecular C8H5Cl3O, utilizado principalmente como intermedio en síntesis química. Su estructura, que incluye grupos diclorometil y 4-clorofenilo, lo hace valioso en la producción de agroquímicos y productos farmacéuticos. Ofrece alta reactividad en reacciones de halogenación y acilación, facilitando la obtención de derivados funcionalizados. Su pureza y estabilidad lo convierten en un reactivo confiable para procesos de laboratorio e industrial. Además, su bajo punto de fusión y solubilidad en solventes orgánicos comunes optimizan su manejo en condiciones controladas. Es compatible con múltiples metodologías de síntesis, destacando su versatilidad en química fina.
2,2-dichloro-1-(4-chlorophenyl)ethanone structure
5157-57-3 structure
Product Name:2,2-dichloro-1-(4-chlorophenyl)ethanone
CAS No:5157-57-3
MF:C8H5Cl3O
MW:223.483699560165
MDL:MFCD00090514
CID:361969
PubChem ID:4216494
Update Time:2025-05-24

2,2-dichloro-1-(4-chlorophenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 2,2-dichloro-1-(4-chlorophenyl)-
    • 2,2-Dichloro-1-(4-chlorophenyl)ethanone
    • AC1N6JMG
    • ARONIS24373
    • BBL025810
    • CTK1G4522
    • MolPort-003-917-307
    • SBB080786
    • STL377785
    • AKOS005267167
    • MFCD00090514
    • DTXSID20400927
    • 5157-57-3
    • SCHEMBL6851984
    • FT-0683012
    • 2,2-dichloro-1-(4-chlorophenyl)ethan-1-one
    • G83184
    • 2,2-dichloro-1-(4-chlorophenyl)ethanone
    • MDL: MFCD00090514
    • Inchi: 1S/C8H5Cl3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
    • InChI Key: BZOFRNRRMMEHOB-UHFFFAOYSA-N
    • SMILES: ClC(C(C1C=CC(=CC=1)Cl)=O)Cl

Computed Properties

  • Exact Mass: 221.941
  • Monoisotopic Mass: 221.941
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 162
  • 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: 3.7
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Density: 1.35
  • Boiling Point: 907.6°C at 760 mmHg
  • Flash Point: 502.7°C
  • Refractive Index: 1.634
  • PSA: 17.07000
  • LogP: 3.32640

2,2-dichloro-1-(4-chlorophenyl)ethanone Security Information

  • HazardClass:IRRITANT

2,2-dichloro-1-(4-chlorophenyl)ethanone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
059776-500mg
2,2-Dichloro-1-(4-chlorophenyl)ethanone
5157-57-3
500mg
3233CNY 2021-05-07
TRC
D650500-10mg
2,2-dichloro-1-(4-chlorophenyl)ethanone
5157-57-3
10mg
$ 64.00 2023-09-07
TRC
D650500-50mg
2,2-dichloro-1-(4-chlorophenyl)ethanone
5157-57-3
50mg
$ 146.00 2023-09-07
TRC
D650500-100mg
2,2-dichloro-1-(4-chlorophenyl)ethanone
5157-57-3
100mg
$ 230.00 2023-09-07
SHANG HAI XIAN DING Biotechnology Co., Ltd.
059776-500mg
2,2-Dichloro-1-(4-chlorophenyl)ethanone
5157-57-3
500mg
3233.0CNY 2021-07-13
Cooke Chemical
S5552251-50MG
2,2,4''-TRICHLOROACETOPHENONE
5157-57-3 AldrichCPR
50mg
RMB 117.90 2025-02-20
A2B Chem LLC
AG53762-500mg
2,2-Dichloro-1-(4-chlorophenyl)ethanone
5157-57-3
500mg
$285.00 2024-04-19

Additional information on 2,2-dichloro-1-(4-chlorophenyl)ethanone

Comprehensive Overview of 2,2-Dichloro-1-(4-Chlorophenyl)ethanone (CAS No. 5157-57-3)

2,2-Dichloro-1-(4-chlorophenyl)ethanone, also known by its CAS number 5157-57-3, is a versatile organic compound with a wide range of applications in the chemical and pharmaceutical industries. This compound is characterized by its unique molecular structure, which includes a chlorophenyl group and two chlorine atoms attached to the ethanone moiety. The chemical formula of 2,2-dichloro-1-(4-chlorophenyl)ethanone is C9H6Cl3O, and it has a molecular weight of approximately 233.5 g/mol.

The physical properties of 2,2-dichloro-1-(4-chlorophenyl)ethanone are notable for its solid state at room temperature and its solubility in common organic solvents such as dichloromethane, acetone, and ethanol. This compound exhibits a melting point of around 68-70°C and a boiling point of approximately 180°C at reduced pressure. These properties make it suitable for various synthetic processes and analytical techniques.

In the realm of pharmaceutical research, 2,2-dichloro-1-(4-chlorophenyl)ethanone has garnered significant attention due to its potential as an intermediate in the synthesis of bioactive compounds. Recent studies have explored its role in the development of new drugs targeting various diseases. For instance, a study published in the Journal of Medicinal Chemistry highlighted the use of 2,2-dichloro-1-(4-chlorophenyl)ethanone as a key intermediate in the synthesis of novel antiviral agents. The compound's chlorine atoms provide a versatile platform for further functionalization, enabling the creation of derivatives with enhanced biological activity.

The chemical reactivity of 2,2-dichloro-1-(4-chlorophenyl)ethanone is another area of interest for researchers. Its electrophilic nature allows it to participate in various reactions, including nucleophilic substitution and addition reactions. These reactions are crucial for the synthesis of complex molecules with specific functional groups. For example, a recent study in Organic Letters demonstrated the use of 2,2-dichloro-1-(4-chlorophenyl)ethanone in the preparation of substituted phenols through nucleophilic aromatic substitution reactions. This versatility makes it an attractive starting material for synthetic chemists working on drug discovery projects.

In addition to its applications in drug synthesis, 2,2-dichloro-1-(4-chlorophenyl)ethanone has been investigated for its potential as a building block in materials science. Researchers have explored its use in the development of functional polymers and coatings with unique properties. A study published in Macromolecules reported the synthesis of polymeric materials using 2,2-dichloro-1-(4-chlorophenyl)ethanone-based monomers. These materials exhibited improved thermal stability and mechanical strength, making them suitable for advanced applications in electronics and aerospace industries.

The environmental impact and safety profile of 2,2-dichloro-1-(4-chlorophenyl)ethanone are also important considerations for its industrial use. While it is not classified as a hazardous substance under current regulations, proper handling and disposal practices are recommended to minimize any potential risks. Studies have shown that this compound can be safely managed through appropriate engineering controls and personal protective equipment (PPE). Additionally, ongoing research aims to develop more sustainable synthetic routes to reduce the environmental footprint associated with its production.

In conclusion, 2,2-dichloro-1-(4-chlorophenyl)ethanone (CAS No. 5157-57-3) is a multifaceted compound with significant potential in pharmaceutical research, materials science, and industrial applications. Its unique chemical structure and reactivity make it an invaluable tool for scientists and engineers working on innovative solutions to pressing challenges in these fields. As research continues to advance, the future prospects for this compound are promising, opening up new avenues for discovery and development.

Recommended suppliers
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd