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CS-W001157 4
Total: USD 88.00

4-(Pentafluoro-λ6-sulfanyl)benzonitrile

  • CAS No. 401892-85-1

  • Cat. No. CS-0128718
  • Molecule weight229.17
  • Purity≥97%
  • MDL No.MFCD03788521

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

4-(Pentafluoro-λ6-sulfanyl)benzonitrile|CS-0128718

Structure of 401892-85-1

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General Information

  • CAS No. 401892-85-1
  • Cat. No. CS-0128718
  • Purity ≥97%
  • MDL No. MFCD03788521
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₅NS
  • Molecular Weight 229.17
  • Synonym(s) 4-(Pentafluorothio)Benzonitrile
  • SMILES FS(C1=CC=C(C#N)C=C1)(F)(F)(F)F

Synthesis

  • Route1

    References

    • Chimia, , vol. 58, # 3 p. 138 - 142
  • Route2

    References

    • Chimia, , vol. 58, # 3 p. 138 - 142
  • Route3

    References

    • Chimia, , vol. 58, # 3 p. 138 - 142

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P260-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P363-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   4.21568
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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