Cas no 898755-04-9 ( )

  structure
  structure
Product Name: 
CAS No:898755-04-9
MF:C18H17F3O
MW:306.322195768356
CID:993955
PubChem ID:24726408
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 3-(2,6-dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
    • 3-(2,6-DIMETHYLPHENYL)-2'-TRIFLUOROMETHYLPROPIOPHENONE
    • 3-(2,6-Dimethylphenyl)-2'-trifluoromethyl-propiophenone
    • 898755-04-9
    • MFCD03843795
    • AKOS016022254
    • DTXSID40644801
    • 3-(2,6-Dimethylphenyl)-1-[2-(trifluoromethyl)phenyl]-1-propanone
    •  
    • MDL: MFCD03843795
    • Inchi: 1S/C18H17F3O/c1-12-6-5-7-13(2)14(12)10-11-17(22)15-8-3-4-9-16(15)18(19,20)21/h3-9H,10-11H2,1-2H3
    • InChI Key: BNMIBZVCOSSAHR-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1C(CCC1C(C)=CC=CC=1C)=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: 367
  • 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

  • Density: 1.159
  • Boiling Point: 402.6°C at 760 mmHg
  • Flash Point: 227.7°C
  • Refractive Index: 1.517
  • 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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