Cas no 898779-61-8 ( )

  structure
  structure
Product Name: 
CAS No:898779-61-8
MF:C18H17F3O
MW:306.322195768356
MDL:MFCD03843847
CID:994234
PubChem ID:24726461
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 3-(3,4-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
    • 3-(3,4-DIMETHYLPHENYL)-2'-TRIFLUOROMETHYLPROPIOPHENONE
    • 3-(3,4-Dimethylphenyl)-2'-trifluoromethyl-propiophenone
    • MFCD03843847
    • 898779-61-8
    • DTXSID70644854
    • AKOS016022270
    • 3-(3,4-Dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]-1-propanone
    •  
    • MDL: MFCD03843847
    • Inchi: 1S/C18H17F3O/c1-12-7-8-14(11-13(12)2)9-10-17(22)15-5-3-4-6-16(15)18(19,20)21/h3-8,11H,9-10H2,1-2H3
    • InChI Key: CQNMVPFRBGCLDE-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1C(CCC1C=CC(C)=C(C)C=1)=O)(F)F

Computed Properties

  • Exact Mass: 306.12300
  • Monoisotopic Mass: 306.12314965g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 377
  • 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: 5.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 5.13770

  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%

  Pricemore >>

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Fluorochem
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3-(3,4-dimethylphenyl)-2'-trifluoromethylpropiophenone
898779-61-8 97%
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£540.00 2022-03-01
Fluorochem
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abcr
AB366627-1 g
3-(3,4-Dimethylphenyl)-2'-trifluoromethylpropiophenone; 97%
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abcr
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abcr
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