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CS-W001157 4
Total: USD 88.00

5-Nitro-1H-indole-3-carboxylic acid

  • CAS No. 6958-37-8

  • Cat. No. CS-W006478
  • Purity≥96%
  • MDL No.MFCD06203492

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

5-Nitro-1H-indole-3-carboxylic acid|CS-W006478

Structure of 6958-37-8

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General Information

  • CAS No. 6958-37-8
  • Cat. No. CS-W006478
  • Purity ≥96%
  • MDL No. MFCD06203492
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₄
  • Molecular Weight 206.15
  • Synonym(s) Indole-3-carboxylicacid, 5-nitro-
  • SMILES O=C(O)C1=CNC2=C1C=C(C=C2)[N+]([O-])=O

Synthesis

  • Route1

    References

    • Collection of Czechoslovak Chemical Communications, , vol. 71, # 6 p. 899 - 911
  • Route2
    • null|null
      6953-35-1
    • ~%
    • In-stock
      5-Nitro-1H-indole-3-carboxylic acid|CS-W006478
      6958-37-8

    References

    • Collection of Czechoslovak Chemical Communications, , vol. 71, # 6 p. 899 - 911
  • Route3
    • null|null
      1058740-61-6
    • ~94%
    • In-stock
      5-Nitro-1H-indole-3-carboxylic acid|CS-W006478
      6958-37-8

    References

    • Castellano, Sabrina; Spannhoff, Astrid; Milite, Ciro; Dal Piaz, Fabrizio; Cheng, Donghang; Tosco, Alessandra; Viviano, Monica; Yamani, Abdellah; Cianciulli, Agostino; Sala, Marina; Cura, Vincent; Cavarelli, Jean; Novellino, Ettore; Mai, Antonello; Bedford, Mark T.; Sbardella, Gianluca Journal of Medicinal Chemistry, 2012 , vol. 55, # 22 p. 9875 - 9890

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   96.23
  • LogP   1.7743
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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