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CS-W001157 4
Total: USD 88.00

4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile

  • CAS No. 943-25-9

  • Cat. No. CS-0330124
  • Purity95+%
  • MDL No.None

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

4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile|CS-0330124

Structure of 943-25-9

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General Information

  • CAS No. 943-25-9
  • Cat. No. CS-0330124
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃F₃N₄
  • Molecular Weight 188.11
  • Synonym(s) 4-Amino-2-(trifluoromethyl)-5-pyrimidinecarbonitrile
  • SMILES N#CC1=CN=C(C(F)(F)F)N=C1N

Synthesis

  • Route1
    • 2-(Chloromethylene)malononitrile|CS-0929410
      10472-09-0
    • null|null
      354-37-0
    • ~80%
    • 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile|CS-0330124
      943-25-9
    • 2,2,2-Trifluoroacetimidamide hydrochloride|CS-0452189
      39560-95-7

    References

    • Il'chenko, A. Ya.; Krokhtyak, V. I.; Yagupol'skii, L. M. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1981 , vol. 17, # 12 p. 1236 - 1237 Khimiya Geterotsiklicheskikh Soedinenii, 1981 , vol. 17, # 12 p. 1680 - 1681
  • Route2
    • 2,2,2-Trifluoroacetimidamide hydrochloride|CS-0452189
      39560-95-7
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~%
    • 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile|CS-0330124
      943-25-9

    References

    • Bennett, Lawrence R.; Blankley, C. John; Fleming, Robert W.; Smith, Ronald D.; Tessman, Deirdre K. Journal of Medicinal Chemistry, 1981 , vol. 24, # 4 p. 382 - 389
  • Route3
    • null|null
      354-37-0
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~%
    • 4-Amino-2-(trifluoromethyl)pyrimidine-5-carbonitrile|CS-0330124
      943-25-9

    References

    • Barone et al. Journal of Organic Chemistry, 1959 , vol. 24, p. 198

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   75.59
  • LogP   0.94928
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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