Cas no 66286-21-3 (2',3',4',5'-Tetrafluoroacetophenone)

2',3',4',5'-Tetrafluoroacetophenone is a fluorinated aromatic ketone with the molecular formula C8H4F4O. This compound features a tetrafluoro-substituted phenyl ring attached to an acetyl group, enhancing its reactivity and utility in organic synthesis. The electron-withdrawing nature of the fluorine substituents increases the electrophilicity of the carbonyl carbon, making it a valuable intermediate in nucleophilic aromatic substitution and cross-coupling reactions. Its high purity and stability under standard conditions ensure consistent performance in pharmaceutical and agrochemical applications. The compound is particularly useful in the synthesis of fluorinated fine chemicals, where its structural properties facilitate precise functionalization. Proper handling and storage are recommended due to its potential reactivity.
2',3',4',5'-Tetrafluoroacetophenone structure
66286-21-3 structure
Product Name:2',3',4',5'-Tetrafluoroacetophenone
CAS No:66286-21-3
MF:C8H4F4O
MW:192.110376358032
MDL:MFCD00134310
CID:58450
PubChem ID:4581823
Update Time:2025-05-22

2',3',4',5'-Tetrafluoroacetophenone Chemical and Physical Properties

Names and Identifiers

    • 1-(2,3,4,5-Tetrafluorophenyl)ethanone
    • 2',3',4',5'-Tetrafluoroacetophenone
    • 1-(2,3,4,5-Tetrafluorophenyl)ethan-1-one
    • 2',3',4',5'-Tertafluoroacetophenone
    • 2,3,4,5-tetrafluoroacetophenone
    • 2',3',4',5'-tetrafluorophenone
    • 4-fluorotrifluoroacetophenone
    • p-fluorotrifluoroacetophenone
    • 2' 3' 4' 5'-Tetrafluoroacetophenone
    • PubChem4282
    • PubChem3108
    • 2',3',4',5'- Tertafluoroacetophenone
    • STL557972
    • SBB064473
    • BBL104158
    • 1-acetyl-2,3,4,5-tetrafluorobenzene
    • VZ21767
    • AS04013
    • TRA0042759
    • AM62072
    • MS-2
    • MFCD00134310
    • A19686
    • AC-3623
    • 66286-21-3
    • FT-0641058
    • 2,3,4,5-tetrafluorophenyl methyl ketone
    • DTXSID50404498
    • Ethanone, 1-(2,3,4,5-tetrafluorophenyl)-
    • AKOS006228856
    • CS-W015825
    • MS-20803
    • SCHEMBL823828
    • N12051
    • EN300-1829764
    • DB-054907
    • MDL： MFCD00134310
    • Inchi： 1S/C8H4F4O/c1-3(13)4-2-5(9)7(11)8(12)6(4)10/h2H,1H3
    • InChI Key： JYKCLBMVRLLJCI-UHFFFAOYSA-N
    • SMILES： FC1C(=C(C(=CC=1C(C)=O)F)F)F

Computed Properties

  • Exact Mass: 192.02000
  • Monoisotopic Mass: 192.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 208
  • 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
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Not available
  • Density: 1.408?g/mL?at 25?°C(lit.)
  • Boiling Point: 83-84?°C20?mm Hg(lit.)
  • Flash Point: 156?°F
  • Refractive Index: n20/D 1.453(lit.)
  • PSA: 17.07000
  • LogP: 2.44560
  • Solubility: Not available

2',3',4',5'-Tetrafluoroacetophenone Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S23; S26; S28
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38

2',3',4',5'-Tetrafluoroacetophenone 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%

2',3',4',5'-Tetrafluoroacetophenone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
L-TL144-1g
2',3',4',5'-Tetrafluoroacetophenone
 66286-21-3
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 ￥372.0 2022-02-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.
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Alichem
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Alichem
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Apollo Scientific
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Apollo Scientific
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eNovation Chemicals LLC
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2',3',4',5'-Tetrafluoroacetophenone Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:66286-21-3)2',3',4',5'-Tetrafluoroacetophenone
Order Number:A19686
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:01
Price ($):184.0

2',3',4',5'-Tetrafluoroacetophenone Related Literature

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Additional information on 2',3',4',5'-Tetrafluoroacetophenone

Comprehensive Overview of 2',3',4',5'-Tetrafluoroacetophenone (CAS No. 66286-21-3): Properties, Applications, and Industry Insights

2',3',4',5'-Tetrafluoroacetophenone (CAS No. 66286-21-3) is a fluorinated aromatic ketone that has garnered significant attention in pharmaceutical and material science research due to its unique structural and electronic properties. The compound's tetrafluoro-substituted benzene ring enhances its reactivity, making it a valuable intermediate in synthetic chemistry. Researchers often explore its potential in cross-coupling reactions and as a precursor for fluorinated pharmaceuticals, aligning with the growing demand for bioactive fluorine-containing compounds in drug development.

In recent years, the surge in green chemistry initiatives has driven interest in sustainable fluorination methods. 2',3',4',5'-Tetrafluoroacetophenone serves as a model substrate for studying catalytic fluorination techniques, addressing questions like "How can fluorinated compounds be synthesized with minimal environmental impact?" This aligns with trends in AI-driven molecular design, where computational tools predict optimal synthetic routes for high-value fluorinated intermediates.

The compound's physicochemical properties—including its melting point (～45–48°C) and solubility in organic solvents—make it suitable for high-performance material applications. Industries frequently search for "fluorinated ketones for liquid crystal synthesis" or "electron-deficient aromatic ketones," highlighting its role in advanced OLED materials and dielectric coatings. Its electron-withdrawing fluorine atoms improve thermal stability, a critical factor in electronic device manufacturing.

Analytical characterization of CAS No. 66286-21-3 typically involves GC-MS, NMR spectroscopy, and HPLC purity testing, topics frequently queried in academic forums. Recent publications emphasize its utility in metal-organic frameworks (MOFs), answering search trends like "fluorinated linkers for porous materials." The compound’s crystallographic data (e.g., CCDC entries) is often referenced in structure-activity relationship (SAR) studies.

From a commercial perspective, 2',3',4',5'-Tetrafluoroacetophenone is classified as a specialty chemical, with suppliers emphasizing batch-to-batch consistency and regulatory compliance. FAQs such as "Is tetrafluoroacetophenone compatible with Grignard reagents?" reflect user concerns about its reaction scope. Meanwhile, patent analyses reveal its use in agrochemical intermediates, connecting to broader discussions on precision farming chemicals.

Ongoing research explores its derivatives for PET radiotracers in medical imaging, tapping into the theranostics trend. The compound’s structure-property relationships are also investigated via quantum chemical calculations, addressing search queries like "DFT studies on fluorinated acetophenones." This multidisciplinary relevance ensures CAS No. 66286-21-3 remains a focal point in both industrial and academic settings.

66286-21-3 (2',3',4',5'-Tetrafluoroacetophenone) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:66286-21-3)2',3',4',5'-Tetrafluoroacetophenone
A19686
Purity:99%
Quantity:25g
Price ($):184.0
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