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CS-W001157 4
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6-Cyano-1H-indazole-3-carboxylic acid

  • CAS No. 194163-31-0

  • Cat. No. CS-0342655
  • Purity≥98%
  • MDL No.None

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

6-Cyano-1H-indazole-3-carboxylic acid|CS-0342655

Structure of 194163-31-0

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General Information

  • CAS No. 194163-31-0
  • Cat. No. CS-0342655
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅N₃O₂
  • Molecular Weight 187.15
  • Synonym(s) 1H-Indazole-3-carboxylicacid,6-cyano
  • SMILES C1=CC2=C(C=C1C#N)NN=C2C(=O)O

Synthesis

  • Route1
    • null|null
      882803-60-3
    • ~66%
    • In-stock
      6-Cyano-1H-indazole-3-carboxylic acid|CS-0342655
      194163-31-0

    References

    • Su, Ting; Naughton, Mary Ann H.; Smyth, Mark S.; Rose, Jack W.; Arfsten, Ann E.; McCowan, Jefferson R.; Jakubowski, Joseph A.; Wyss, Virginia L.; Ruterbories, Kenneth J.; Sall, Daniel J.; Scarborough, Robert M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 26 p. 4308 - 4318
  • Route2
    • Ethyl 6-cyano-1H-indazole-3-carboxylate|CS-0460617
      885279-19-6
    • ~%
    • In-stock
      6-Cyano-1H-indazole-3-carboxylic acid|CS-0342655
      194163-31-0

    References

    • Schumacher, Richard; Danca, Mihaela Diana; Ma, Jianguo; Herbert, Brian; Nguyen, True Minh; Xie, Wenge; Tehim, Ashok Patent: US2007/78147 A1, 2007 ; Location in patent: Page/Page column 76 ;
  • Route3

    References

    • Sall, Daniel J.; Arfsten, Ann E.; Bastian, Jolie A.; Denney, Michael L.; Harms, Cathy S.; McCowan, Jefferson R.; Morin Jr., John M.; Rose, Jack W.; Scarborough, Robert M.; Smyth, Mark S.; Um, Suzane L.; Utterback, Barbara G.; Vasileff, Robert T.; Wikel, James H.; Wyss, Virginia L.; Jakubowski, Joseph A. Journal of Medicinal Chemistry, 1997 , vol. 40, # 18 p. 2843 - 2857

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   89.77
  • LogP   1.13278
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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