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CS-W001157 4
Total: USD 88.00

5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile

  • CAS No. 64096-89-5

  • Cat. No. CS-0122727
  • Purity≥98%
  • MDL No.MFCD00128297

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

5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122727

Structure of 64096-89-5

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General Information

  • CAS No. 64096-89-5
  • Cat. No. CS-0122727
  • Purity ≥98%
  • MDL No. MFCD00128297
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₄
  • Molecular Weight 218.64
  • Synonym(s) 5-AMINO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-4
  • SMILES N#CC1=C(N)N(C2=CC=CC=C2Cl)N=C1

Synthesis

  • Route1

    References

    • Pettus, Liping H.; Wurz, Ryan P.; Xu, Shimin; Herberich, Brad; Henkle, Bradley; Liu, Qiurong; McBride, Helen J.; Mu, Sharon; Plant, Matthew H.; Saris, Christiaan J.M.; Sherman, Lisa; Wong, Lu Min; Chmait, Samer; Lee, Matthew R.; Mohr, Christopher; Hsieh, Faye; Tasker, Andrew S. Journal of Medicinal Chemistry, 2010 , vol. 53, # 7 p. 2973 - 2985
  • Route2
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • (2-Chlorophenyl)hydrazine|CS-0447332
      10449-07-7
    • ~82%
    • 5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122727
      64096-89-5

    References

    • Bonn, Peter; Brink, D. Mikael; Faegerhag, Jonas; Jurva, Ulrik; Robb, Graeme R.; Schnecke, Volker; Svensson Henriksson, Anette; Waring, Michael J.; Westerlund, Christer Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 24 p. 7302 - 7305
  • Route3

    References

    • US2007/197559 A1, ; Page/Page column 23 ; US 20070197559 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317-H318
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.63
  • LogP   1.97958
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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