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CS-W001157 4
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1-Isopropyl-1,2,3-benzotriazole-5-carbonitrile

  • CAS No. 879558-15-3

  • Cat. No. CS-0213034
  • Purity≥98%
  • MDL No.MFCD09031714

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

1-Isopropyl-1,2,3-benzotriazole-5-carbonitrile|CS-0213034

Structure of 879558-15-3

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General Information

  • CAS No. 879558-15-3
  • Cat. No. CS-0213034
  • Purity ≥98%
  • MDL No. MFCD09031714
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₄
  • Molecular Weight 186.21
  • Synonym(s) 1-Isopropyl-1H-benzo[d][1,2,3]triazole-5-carbonitrile
  • SMILES CC(C)N1C2=C(C=C(C=C2)C#N)N=N1

Synthesis

  • Route1

    References

    • Semple, Graeme; Skinner, Philip J.; Cherrier, Martin C.; Webb, Peter J.; Sage, Carleton R.; Tamura, Susan Y.; Chen, Ruoping; Richman, Jeremy G.; Connolly, Daniel T. Journal of Medicinal Chemistry, 2006 , vol. 49, # 4 p. 1227 - 1230
  • Route2

    References

    • Semple, Graeme; Skinner, Philip J.; Cherrier, Martin C.; Webb, Peter J.; Sage, Carleton R.; Tamura, Susan Y.; Chen, Ruoping; Richman, Jeremy G.; Connolly, Daniel T. Journal of Medicinal Chemistry, 2006 , vol. 49, # 4 p. 1227 - 1230
  • Route3
    • 3-Amino-4-(isopropylamino)benzonitrile|CS-0209791
      355022-20-7
    • ~%
    • 1-Isopropyl-1,2,3-benzotriazole-5-carbonitrile|CS-0213034
      879558-15-3

    References

    • Semple, Graeme; Skinner, Philip J.; Cherrier, Martin C.; Webb, Peter J.; Sage, Carleton R.; Tamura, Susan Y.; Chen, Ruoping; Richman, Jeremy G.; Connolly, Daniel T. Journal of Medicinal Chemistry, 2006 , vol. 49, # 4 p. 1227 - 1230

Safety Information

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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   54.5
  • LogP   1.88388
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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