Cas no 175711-83-8 (1-(4-chloro-2-fluorophenyl)ethan-1-one)

1-(4-Chloro-2-fluorophenyl)ethan-1-one is a halogenated aromatic ketone with the molecular formula C?H?ClFO. This compound serves as a versatile intermediate in organic synthesis, particularly in the pharmaceutical and agrochemical industries, due to its reactive carbonyl group and substituted phenyl ring. The presence of both chloro and fluoro substituents enhances its utility in cross-coupling reactions and further functionalization. It exhibits high purity and stability under standard conditions, making it suitable for precise synthetic applications. Its structural features allow for efficient derivatization, enabling the production of complex molecules. The compound is typically handled under controlled conditions to ensure optimal reactivity and safety.
1-(4-chloro-2-fluorophenyl)ethan-1-one structure
175711-83-8 structure
Product Name:1-(4-chloro-2-fluorophenyl)ethan-1-one
CAS No:175711-83-8
MF:C8H6ClFO
MW:172.584044933319
MDL:MFCD04116328
CID:66036
PubChem ID:15030552
Update Time:2025-05-26

1-(4-chloro-2-fluorophenyl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 4'-Chloro-2'-fluoroacetophenone
    • 4’-Chloro-2’-fluoroacetophenone
    • 1-(4-chloro-2-fluorophenyl)ethanone
    • C8H6ClFO
    • 4''-CHLORO-2''-FLUOROACETOPHENONE
    • 4-Chloro-2-fluoroacetophenone
    • 1-(4-Chloro-2-fluorophenyl)ethan-1-one
    • 1-acetyl-4-chloro-2-fluorobenzene
    • 1-(4-chloro-2-fluoro-phenyl)ethanone
    • 1-(4-chloro-2-fluoro-phenyl)-ethanone
    • Ethanone, 1-(4-chloro-2-fluorophenyl)-
    • PubChem4207
    • Jsp003602
    • 4`-Chloro-2`-fluoroacetophenone
    • OIGMDNONQJGUCF-UHFFFAOYSA-N
    • CL
    • MFCD04116328
    • AM61803
    • PS-8659
    • AKOS005063601
    • CL8666
    • FT-0654468
    • SY011386
    • AC-1568
    • 4/'/'-CHLORO-2/'/'-FLUOROACETOPHENONE
    • SCHEMBL325429
    • EN300-123641
    • CS-0094504
    • DTXSID90567213
    • 4'-chloro-2'-fluoroacetophenone, AldrichCPR
    • 4 inverted exclamation mark -Chloro-2 inverted exclamation mark -fluoroacetophenone
    • A19679
    • 175711-83-8
    • 1-(4-chloro-2-fluorophenyl)ethan-1-one
    • MDL: MFCD04116328
    • Inchi: 1S/C8H6ClFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3
    • InChI Key: OIGMDNONQJGUCF-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(C(C)=O)=C(C=1)F

Computed Properties

  • Exact Mass: 172.00900
  • Monoisotopic Mass: 172.0091207g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 160
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.3
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.258
  • Melting Point: No data available
  • Boiling Point: 233 oC
  • Flash Point: 95 oC
  • Refractive Index: 1.512
  • PSA: 17.07000
  • LogP: 2.68170
  • Vapor Pressure: No data available

1-(4-chloro-2-fluorophenyl)ethan-1-one Customs Data

  • HS CODE:2914700090
  • 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%

1-(4-chloro-2-fluorophenyl)ethan-1-one Pricemore >>

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1-(4-chloro-2-fluorophenyl)ethan-1-one Production Method

Additional information on 1-(4-chloro-2-fluorophenyl)ethan-1-one

1-(4-Chloro-2-Fluorophenyl)Ethan-1-One: A Comprehensive Overview

The compound 1-(4-chloro-2-fluorophenyl)ethan-1-one, with the CAS number 175711-83-8, is a fascinating organic molecule that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound is notable for its unique structure, which combines a chlorine atom at the para position and a fluorine atom at the ortho position on the phenyl ring, along with a ketone group attached to the benzene ring. This combination of substituents imparts distinctive chemical and physical properties to the molecule, making it a valuable compound for various applications.

Recent advancements in synthetic chemistry have enabled researchers to explore novel methods for synthesizing 1-(4-chloro-2-fluorophenyl)ethan-1-one. One of the most promising approaches involves the use of direct arylation techniques, which allow for the precise placement of substituents on the aromatic ring. These methods not only enhance the efficiency of synthesis but also minimize the generation of hazardous byproducts, aligning with modern green chemistry principles. Additionally, studies have shown that this compound exhibits remarkable stability under a wide range of conditions, making it suitable for use in diverse chemical environments.

The structural uniqueness of 1-(4-chloro-2-fluorophenyl)ethan-1-one has led to its exploration in various applications. In pharmacology, this compound has been investigated as a potential lead molecule for drug development. Its ability to interact with specific biological targets, such as enzymes and receptors, has been extensively studied using advanced computational modeling techniques like molecular docking simulations. These studies have revealed that the compound exhibits strong binding affinities towards certain protein targets, suggesting its potential as a therapeutic agent in treating various diseases.

In addition to its pharmacological applications, 1-(4-chloro-2-fluorophenyl)ethan-1-one has also found utility in materials science. Researchers have explored its use as a building block for constructing advanced materials, such as polymer composites and nanomaterials. The ketone group in the molecule serves as a reactive site for various polymerization reactions, enabling the creation of materials with tailored properties. Furthermore, recent studies have demonstrated that this compound can be incorporated into self-healing polymers, which exhibit remarkable resilience and durability under mechanical stress.

The environmental impact of 1-(4-chloro-2-fluorophenyl)ethan-1-one has also been a topic of interest among scientists. Studies have shown that this compound exhibits low toxicity towards aquatic organisms, making it an environmentally friendly option for certain industrial applications. However, further research is required to fully understand its long-term ecological effects and to develop sustainable methods for its production and disposal.

In conclusion, 1-(4-chloro-2-fluorophenyl)ethan-1-one (CAS No: 175711-83-8) is a versatile compound with a wide range of potential applications across multiple disciplines. Its unique structure, combined with advancements in synthetic and analytical techniques, continues to unlock new possibilities for its use in drug development, materials science, and beyond. As research progresses, this compound is expected to play an increasingly important role in shaping future innovations in chemistry and related fields.

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