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CS-W001157 4
Total: USD 88.00

2-(Methylthio)-4-(trifluoromethyl)pyrimidine

  • CAS No. 136547-20-1

  • Cat. No. CS-0463363
  • Purity≥98%
  • MDL No.MFCD00209107

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

2-(Methylthio)-4-(trifluoromethyl)pyrimidine|CS-0463363

Structure of 136547-20-1

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General Information

  • CAS No. 136547-20-1
  • Cat. No. CS-0463363
  • Purity ≥98%
  • MDL No. MFCD00209107
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅F₃N₂S
  • Molecular Weight 194.18
  • Synonym(s) 4-trifluoromethyl-2-methylthio-pyrimidine
  • SMILES CSC1=NC=CC(=N1)C(F)(F)F

Synthesis

  • Route1

    References

    • Ple, N.; Turck, A.; Heynderickx, A.; Queguiner, G. Journal of Heterocyclic Chemistry, 1997 , vol. 34, # 2 p. 551 - 556
  • Route2

    References

    • Madruga, Claudia da C.; Clerici, Edflia; Martins, Marcos A. P.; Zanatta, Nilo Journal of Heterocyclic Chemistry, 1995 , vol. 32, # 3 p. 735 - 738
  • Route3
    • null|null
      186581-53-3
    • 4-(Trifluoromethyl)-2-pyrimidinethiol|CS-0005666
      136547-17-6
    • ~74%
    • 2-(Methylthio)-4-(trifluoromethyl)pyrimidine|CS-0463363
      136547-20-1

    References

    • Gerus, I. I.; Vdovenko, S. I.; Gorbunova, M. G.; Kukhar', V. P. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1991 , vol. 27, # 4 p. 398 - 406 Khimiya Geterotsiklicheskikh Soedinenii, 1991 , # 4 p. 502 - 511

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.2173
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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