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CS-W001157 4
Total: USD 88.00

4-((Trifluoromethyl)thio)benzonitrile

  • CAS No. 332-26-3

  • Cat. No. CS-0313211
  • Purity≥97%
  • MDL No.None

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

4-((Trifluoromethyl)thio)benzonitrile|CS-0313211

Structure of 332-26-3

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General Information

  • CAS No. 332-26-3
  • Cat. No. CS-0313211
  • Purity ≥97%
  • 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) 4-(Trifluoromethylthio)benzonitrile
  • SMILES C1=C(C=CC(=C1)SC(F)(F)F)C#N

Synthesis

  • Route1

    References

    • Zhai, Lijuan; Li, Yaming; Yin, Jun; Jin, Kun; Zhang, Rong; Fu, Xinmei; Duan, Chunying Tetrahedron, 2013 , vol. 69, # 48 p. 10262 - 10266
  • Route2

    References

    • Danoun, Gregory; Bayarmagnai, Bilguun; Gruenberg, Matthias F.; Goossen, Lukas J. Chemical Science, 2014 , vol. 5, # 4 p. 1312 - 1316
  • Route3

    References

    • Chen, Chao; Xie, Yan; Chu, Lingling; Wang, Ruo-Wen; Zhang, Xingang; Qing, Feng-Ling Angewandte Chemie - International Edition, 2012 , vol. 51, # 10 p. 2492 - 2495

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P362-P405-P501

Quality Control

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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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