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CS-W001157 4
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3-[(trifluoromethyl)sulfanyl]benzonitrile

  • CAS No. 660-44-6

  • Cat. No. CS-0242023
  • Molecule weight203.18
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-[(trifluoromethyl)sulfanyl]benzonitrile|CS-0242023

Structure of 660-44-6

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General Information

  • CAS No. 660-44-6
  • Cat. No. CS-0242023
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NS
  • Molecular Weight 203.18
  • Synonym(s) 3-(Trifluoromethylthio)benzonitrile
  • SMILES C1=CC(=CC(=C1)SC(F)(F)F)C#N

Synthesis

  • Route1

    References

    • Weng, Zhiqiang; He, Weiming; Chen, Chaohuang; Lee, Richmond; Tan, Davin; Lai, Zhiping; Kong, Dedao; Yuan, Yaofeng; Huang, Kuo-Wei Angewandte Chemie - International Edition, 2013 , vol. 52, # 5 p. 1548 - 1552 Angew. Chem., 2013 , vol. 125, # 5 p. 1588 - 1592
  • Route2
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      143-33-9
    • 3-(Trifluoromethylthio)aniline|CS-0103290
      369-68-6
    • ~%
    • 3-[(trifluoromethyl)sulfanyl]benzonitrile|CS-0242023
      660-44-6

    References

    • Yagupol'skii,L.M.; Gruz,B.E. J. Gen. Chem. USSR (Engl. Transl.), 1961 , vol. 31, p. 1315 - 1320,1219 - 1223

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.17018
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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