Cas no 261762-63-4 (1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone)

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone is a fluorinated and chlorinated aromatic ketone with a molecular formula of C9H8ClFO. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features—a chloro and fluoro substituent adjacent to the acetyl group—enhance reactivity and selectivity in cross-coupling and nucleophilic substitution reactions. The methyl group at the 3-position further contributes to steric and electronic modulation, making it valuable for fine-tuning molecular properties. High purity grades are available to ensure consistency in research and industrial applications. Its stability under standard conditions facilitates handling and storage.
1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone structure
261762-63-4 structure
Product Name:1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone
CAS No:261762-63-4
MF:C9H8ClFO
MW:186.610625267029
MDL:MFCD01631368
CID:92592
PubChem ID:2773655
Update Time:2025-10-28

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone
    • 2-CHLORO-6-FLUORO-3-METHYLACETOPHENONE
    • 2'-Chloro-6'-fluoro-3'-methylacetophenone
    • C9H8ClFO
    • 1-acetyl-2-chloro-6-fluoro-3-methylbenzene
    • 2′-Chloro-6′-fluoro-3′-methylacetophenone
    • 1-(2-chloro-6-fluoro-3-methylphenyl)ethan-1-one
    • PubChem7113
    • DNESTVGNBQZBHP-UHFFFAOYSA-N
    • FCH919255
    • SBB090497
    • 2260AB
    • PC0085
    • AS05141
    • 261762-63-4
    • PS-8468
    • 2'-CHLORO-6'-FLUORO-3'-METHYL-ACETOPHENONE
    • SY061873
    • SCHEMBL714300
    • 2 inverted exclamation mark -Chloro-6 inverted exclamation mark -fluoro-3 inverted exclamation mark -methylacetophenone
    • A818262
    • DTXSID20378617
    • AKOS006230450
    • CS-0153731
    • 1-(2-chloro-6-fluoro-3-methyl-phenyl)-ethanone
    • MFCD01631368
    • FT-0676210
    • amino(2-fluorophenyl)aceticacid
    • AMY6236
    • Ethanone, 1-(2-chloro-6-fluoro-3-methylphenyl)-
    • DB-067556
    • 2''-Chloro-6''-fluoro-3''-methylacetophenone
    • 1-(2-chloro-6-fluoro-3-methyl-phenyl)ethanone
    • MDL: MFCD01631368
    • Inchi: 1S/C9H8ClFO/c1-5-3-4-7(11)8(6(2)12)9(5)10/h3-4H,1-2H3
    • InChI Key: DNESTVGNBQZBHP-UHFFFAOYSA-N
    • SMILES: ClC1C(C)=CC=C(C=1C(C)=O)F

Computed Properties

  • Exact Mass: 186.02500
  • Monoisotopic Mass: 186.025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 183
  • 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
  • Topological Polar Surface Area: 17.1
  • XLogP3: 2.7

Experimental Properties

  • PSA: 17.07000
  • LogP: 2.99010

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Risk Phrases:R36/37/38

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone 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-(2-Chloro-6-fluoro-3-methylphenyl)ethanone Pricemore >>

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1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:261762-63-4)1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone
Order Number:A818262
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:08
Price ($):388.0
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:261762-63-4)2'-CHLORO-6'-FLUORO-3'-METHYLACETOPHENONE
Order Number:sfd7827
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally

Additional information on 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone: An Overview of a Versatile Compound (CAS No. 261762-63-4)

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone (CAS No. 261762-63-4) is a multifaceted compound that has garnered significant attention in the fields of organic chemistry, pharmaceutical research, and materials science. This compound, characterized by its unique chemical structure, exhibits a range of properties that make it an essential building block in the synthesis of various biologically active molecules and advanced materials.

The chemical structure of 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone consists of a substituted phenyl ring attached to an acetyl group. The presence of a chlorine atom, a fluorine atom, and a methyl group on the phenyl ring imparts specific electronic and steric effects that influence its reactivity and physical properties. These substituents play a crucial role in determining the compound's solubility, stability, and reactivity in different chemical environments.

In recent years, 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone has been extensively studied for its potential applications in pharmaceutical research. One notable area of interest is its use as an intermediate in the synthesis of novel drugs targeting various diseases. For instance, researchers have explored its role in the development of anticancer agents, where its unique substituents can enhance the potency and selectivity of the final drug molecules.

A study published in the Journal of Medicinal Chemistry highlighted the use of 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone in the synthesis of a series of pyrazole derivatives with potent antitumor activity. The researchers found that these derivatives exhibited significant cytotoxic effects against several cancer cell lines, including breast cancer and lung cancer cells. The presence of the chlorine and fluorine atoms on the phenyl ring was found to be crucial for enhancing the biological activity and reducing toxicity.

Beyond pharmaceutical applications, 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone has also found utility in materials science. Its unique electronic properties make it an attractive candidate for the development of functional materials with applications in electronics and optoelectronics. For example, researchers at the University of California, Berkeley, have utilized this compound as a building block in the synthesis of conjugated polymers with enhanced charge transport properties. These polymers have shown promise in organic photovoltaic devices and field-effect transistors.

The synthetic versatility of 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone is another key factor contributing to its widespread use. Various synthetic routes have been developed to prepare this compound efficiently and cost-effectively. One common method involves the Friedel-Crafts acylation of 2-chloro-6-fluoro-3-methylbenzene using acetyl chloride or acetic anhydride in the presence of a Lewis acid catalyst such as aluminum chloride. This reaction proceeds smoothly under mild conditions, yielding high yields of the desired product.

In addition to its synthetic accessibility, 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone is known for its excellent thermal stability and low volatility, making it suitable for use in various industrial processes. These properties are particularly advantageous in large-scale manufacturing settings where maintaining product integrity is crucial.

The environmental impact of compounds like 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone is another important consideration. Recent studies have focused on developing more sustainable synthetic methods that minimize waste generation and reduce environmental footprint. For example, green chemistry approaches such as solvent-free reactions and catalytic systems have been explored to improve the eco-friendliness of the synthesis process.

In conclusion, 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone (CAS No. 261762-63-4) is a versatile compound with a wide range of applications in pharmaceutical research, materials science, and industrial processes. Its unique chemical structure and favorable physical properties make it an invaluable tool for scientists and engineers working to develop innovative solutions to pressing global challenges. As research continues to advance, it is likely that new applications for this compound will be discovered, further solidifying its importance in multiple scientific disciplines.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:261762-63-4)1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone
A818262
Purity:99%
Quantity:100g
Price ($):388.0
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:261762-63-4)2'-CHLORO-6'-FLUORO-3'-METHYLACETOPHENONE
sfd7827
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email