Cas no 94856-24-3 (4,4,4-Trifluoro-1-3-(Trifluoromethyl)PhenylButane-1,3-Dione)

4,4,4-Trifluoro-1-(3-(Trifluoromethyl)phenyl)butane-1,3-dione is a fluorinated β-diketone compound characterized by its trifluoromethyl and phenyl substituents. This structure imparts enhanced electron-withdrawing properties, making it valuable as a ligand in coordination chemistry and a precursor for synthesizing heterocyclic compounds. Its high thermal and chemical stability, attributed to the strong C-F bonds, ensures reliability in demanding applications. The compound’s reactivity with metal ions facilitates its use in forming stable metal complexes, particularly in catalysis and material science. Additionally, its solubility in organic solvents broadens its utility in synthetic processes. These properties make it a versatile intermediate for advanced chemical research and industrial applications.
4,4,4-Trifluoro-1-3-(Trifluoromethyl)PhenylButane-1,3-Dione structure
94856-24-3 structure
Product Name:4,4,4-Trifluoro-1-3-(Trifluoromethyl)PhenylButane-1,3-Dione
CAS No:94856-24-3
MF:C11H6F6O2
MW:284.154564380646
MDL:MFCD07779626
CID:890232
PubChem ID:16227957
Update Time:2025-06-08

4,4,4-Trifluoro-1-3-(Trifluoromethyl)PhenylButane-1,3-Dione Chemical and Physical Properties

Names and Identifiers

    • 1,3-Butanedione, 4,4,4-trifluoro-1-[3-(trifluoromethyl)phenyl]-
    • 4,4,4-TRIFLUORO-1-(3-TRIFLUOROMETHYLPHENYL)-1,3-BUTANEDIONE
    • 4,4,4-TRIFLUORO-1-(3-TRIFLUOROMETHYLPHENYL)BUTANE-1,3-DIONE
    • 4,4,4-trifluoro-1-[3-(trifluoromethyl)phenyl]butane-1,3-dione
    • 1-(3-trifluoromethyl-phenyl)-4,4,4-trifluoro-butane-1,3-dione
    • 4,4,4-trifluoro-1-(3-(trifluoromethyl)methyl)butane-1,3-dione
    • EN300-27494
    • DTXSID70585475
    • AKOS000117941
    • (3-Trifluoromethylbenzoyl)-3,3,3-trifluoroacetone
    • CS-0244298
    • Z235344261
    • 4,4,4-trifluoro-1-(3-trifluoromethyl-phenyl)-butane-1,3-dione
    • 4,4,4-Trifluoro-1-(3-(trifluoromethyl)phenyl)butane-1,3-dione
    • 94856-24-3
    • AB87317
    • SCHEMBL1346272
    • G30051
    • 4,4,4-Trifluoro-1-3-(Trifluoromethyl)PhenylButane-1,3-Dione
    • MDL： MFCD07779626
    • Inchi： 1S/C11H6F6O2/c12-10(13,14)7-3-1-2-6(4-7)8(18)5-9(19)11(15,16)17/h1-4H,5H2
    • InChI Key： YQKXBCGSOZNMMC-UHFFFAOYSA-N
    • SMILES： FC(C1=CC=CC(=C1)C(CC(C(F)(F)F)=O)=O)(F)F

Computed Properties

  • Exact Mass: 284.02700
  • Monoisotopic Mass: 284.02719840g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 357
  • 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: 3.5
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14000
  • LogP: 3.40960

4,4,4-Trifluoro-1-3-(Trifluoromethyl)PhenylButane-1,3-Dione 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%

4,4,4-Trifluoro-1-3-(Trifluoromethyl)PhenylButane-1,3-Dione Pricemore >>

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