Cas no 157788-40-4 (4-4-(Trifluoromethoxy)phenylbenzonitrile)

4-4-(Trifluoromethoxy)phenylbenzonitrile structure
157788-40-4 structure
Product Name:4-4-(Trifluoromethoxy)phenylbenzonitrile
CAS No:157788-40-4
MF:C14H8F3NO
MW:263.21463394165
MDL:MFCD07779285
CID:107910
PubChem ID:21463613
Update Time:2025-04-18

4-4-(Trifluoromethoxy)phenylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carbonitrile,4'-(trifluoromethoxy)-
    • 4-[4-(trifluoromethoxy)phenyl]benzonitrile
    • 4-(4-trifluoromethoxyphenyl)benzonitrile
    • 4'-[(trifluoromethyl)oxy]-4-biphenylcarbonitrile
    • 4'-trifluoromethoxybiphenyl-4-carbonitrile
    • 4-CYANO-4'-TRIFLUOROMETHOXYDIPHENYL
    • 4-Cyano-4''-(trifluoromethoxy)-biphenyl
    • 4'-(trifluoromethoxy)biphenyl-4-carbonitrile
    • 157788-40-4
    • SCHEMBL2803766
    • 4'-(Trifluoromethoxy)[1,1'-biphenyl]-4-carbonitrile
    • MFCD07779285
    • BS-21576
    • 4'-(Trifluoromethoxy)-[1,1'-biphenyl]-4-carbonitrile
    • [1,1'-Biphenyl]-4-carbonitrile, 4'-(trifluoromethoxy)-
    • DTXSID20614284
    • 4-4-(Trifluoromethoxy)phenylbenzonitrile
    • MDL: MFCD07779285
    • Inchi: 1S/C14H8F3NO/c15-14(16,17)19-13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-8H
    • InChI Key: LDJNMSJDSXDKEN-UHFFFAOYSA-N
    • SMILES: FC(OC1C=CC(=CC=1)C1C=CC(C#N)=CC=1)(F)F

Computed Properties

  • Exact Mass: 263.05600
  • Monoisotopic Mass: 263.05579836g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 330
  • 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: 4.4
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02000
  • LogP: 4.12388

4-4-(Trifluoromethoxy)phenylbenzonitrile 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%

4-4-(Trifluoromethoxy)phenylbenzonitrile Pricemore >>

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abcr
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