Cas no 898784-45-7 ( )

  structure
  structure
Product Name: 
CAS No:898784-45-7
MF:C16H10F3NO
MW:289.25191450119
CID:868144
PubChem ID:24723932
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2-(2-CYANOPHENYL)-2'-TRIFLUOROMETHYLACETOPHENONE
    • 2-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]benzonitrile
    • 898784-45-7
    • AKOS016019510
    • 2-{2-Oxo-2-[2-(trifluoromethyl)phenyl]ethyl}benzonitrile
    • MFCD02260747
    • DTXSID30642331
    •  
    • MDL: MFCD02260747
    • Inchi: 1S/C16H10F3NO/c17-16(18,19)14-8-4-3-7-13(14)15(21)9-11-5-1-2-6-12(11)10-20/h1-8H,9H2
    • InChI Key: MFZDCVQWJXWBJL-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=CC=1C(CC1C=CC=CC=1C#N)=O)(F)F

Computed Properties

  • Exact Mass: 289.07100
  • Monoisotopic Mass: 289.07144843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 423
  • 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: 3.8
  • Topological Polar Surface Area: 40.9?2

Experimental Properties

  • Density: 1.3
  • Boiling Point: 394.2°C at 760 mmHg
  • Flash Point: 192.2°C
  • Refractive Index: 1.548
  • PSA: 40.86000
  • LogP: 4.00248

  Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

  Pricemore >>

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