Cas no 1483-44-9 (1,4-Benzenedicarbonitrile,2-(trifluoromethyl)-)

1,4-Benzenedicarbonitrile,2-(trifluoromethyl)- is a fluorinated aromatic compound featuring both nitrile and trifluoromethyl functional groups. Its unique structure imparts high chemical stability and reactivity, making it valuable in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. The electron-withdrawing properties of the trifluoromethyl and nitrile groups enhance its utility as an intermediate in cross-coupling reactions and heterocyclic chemistry. This compound’s robust thermal and oxidative stability further supports its use in high-performance applications. Its precise molecular design allows for tailored modifications, facilitating the creation of specialized derivatives for research and industrial processes.
1,4-Benzenedicarbonitrile,2-(trifluoromethyl)- structure
1483-44-9 structure
Product Name:1,4-Benzenedicarbonitrile,2-(trifluoromethyl)-
CAS No:1483-44-9
MF:C9H3F3N2
MW:196.128731966019
MDL:MFCD04972802
CID:135145
PubChem ID:12010812
Update Time:2025-06-07

1,4-Benzenedicarbonitrile,2-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarbonitrile,2-(trifluoromethyl)-
    • 2-(trifluoromethyl)benzene-1,4-dicarbonitrile
    • 2,5-DICYANOBENZOTRIFLUORIDE
    • 2,4-DIFLUORO-4'-PYRROLIDINOMETHYL BENZOPHENONE
    • 2-Trifluoromethyl-terephthalonitrile
    • 4-CYANO-3-TRIFLUOROMETHYLBENZONITRILE
    • SCHEMBL1003776
    • FT-0654630
    • A808759
    • MFCD04972802
    • DUUMYHFOWOROMS-UHFFFAOYSA-N
    • 1483-44-9
    • 2-(Trifluoromethyl)terephthalonitrile
    • DTXSID80475777
    • AKOS006346546
    • CS-0312035
    • MDL: MFCD04972802
    • Inchi: 1S/C9H3F3N2/c10-9(11,12)8-3-6(4-13)1-2-7(8)5-14/h1-3H
    • InChI Key: DUUMYHFOWOROMS-UHFFFAOYSA-N
    • SMILES: FC(C1C=C(C#N)C=CC=1C#N)(F)F

Computed Properties

  • Exact Mass: 196.02500
  • Monoisotopic Mass: 196.02483259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 303
  • 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: 2.2
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • Density: 1.37
  • Boiling Point: 295.1°Cat760mmHg
  • Flash Point: 132.3°C
  • Refractive Index: 1.517
  • PSA: 47.58000
  • LogP: 2.44876

1,4-Benzenedicarbonitrile,2-(trifluoromethyl)- Security Information

  • Hazardous Material transportation number:UN 3276
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: T
  • Safety Term:S26-36/37/39
  • Risk Phrases:R20/21/22

1,4-Benzenedicarbonitrile,2-(trifluoromethyl)- 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%

1,4-Benzenedicarbonitrile,2-(trifluoromethyl)- Pricemore >>

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abcr
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