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CS-W001157 4
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1H-Indole-2,5-dicarboxylic acid

  • CAS No. 117140-77-9

  • Cat. No. CS-0042648
  • Purity≥97%
  • MDL No.MFCD02664447

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

1H-Indole-2,5-dicarboxylic acid|CS-0042648

Structure of 117140-77-9

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General Information

  • CAS No. 117140-77-9
  • Cat. No. CS-0042648
  • Purity ≥97%
  • MDL No. MFCD02664447
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₄
  • Molecular Weight 205.17
  • Synonym(s) INDOLE-2,5-DICARBOXYLIC ACID
  • SMILES O=C(C(N1)=CC2=C1C=CC(C(O)=O)=C2)O

Synthesis

  • Route1

    References

    • Khalaf, Abedawn I.; Pitt, Andrew R.; Suckling, Colin J.; Scobie, Martin; Urwin, John; Waigh, Roger D.; Fishleigh, Robert V.; Young, Stephen C. Journal of Chemical Research, Miniprint, 2000 , # 6 p. 751 - 770
  • Route2
    • Ethyl 5-acetyl-1H-indole-2-carboxylate|CS-0208596
      31380-56-0
    • ~%
    • 1H-Indole-2,5-dicarboxylic acid|CS-0042648
      117140-77-9

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 19, # 5 p. 1461 - 1464
  • Route3
    • 4-Hydrazinylbenzoic acid Lamivudine  Impurity|CS-0229071
      619-67-0
    • ~%
    • 1H-Indole-2,5-dicarboxylic acid|CS-0042648
      117140-77-9

    References

    • Journal of Chemical Research, Miniprint, , # 6 p. 751 - 770

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   90.39
  • LogP   1.5643
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   2

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