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CS-W001157 4
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6-Cyano-1H-indole-2-carboxylic acid

  • CAS No. 85864-09-1

  • Cat. No. CS-0136097
  • Molecule weight186.17
  • Purity≥98%
  • MDL No.MFCD20484882

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

6-Cyano-1H-indole-2-carboxylic acid|CS-0136097

Structure of 85864-09-1

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General Information

  • CAS No. 85864-09-1
  • Cat. No. CS-0136097
  • Purity ≥98%
  • MDL No. MFCD20484882
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂O₂
  • Molecular Weight 186.17
  • Synonym(s) 6-cyanoindole-2-carboxylic acid
  • SMILES O=C(O)C1=CC2=C(C=C(C=C2)C#N)N1

Synthesis

  • Route1

    References

    • SCHWARZ PHARMA AG Patent: WO2006/72430 A1, 2006 ; Location in patent: Page/Page column 34 ;
  • Route2

    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
  • Route3
    • null|null
      105191-34-2
    • ~%
    • In-stock
      6-Cyano-1H-indole-2-carboxylic acid|CS-0136097
      85864-09-1

    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-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   76.88
  • LogP   1.73778
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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