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Ethyl 5-nitro-1H-indazole-3-carboxylate

  • CAS No. 78155-85-8

  • Cat. No. CS-0315595
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-nitro-1H-indazole-3-carboxylate|CS-0315595

Structure of 78155-85-8

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General Information

  • CAS No. 78155-85-8
  • Cat. No. CS-0315595
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃O₄
  • Molecular Weight 235.20
  • Synonym(s) ETHYL 5-NITROINDAZOLYL-3-CARBOXYLATE
  • SMILES CCOC(=O)C1=NNC2=C1C=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Xie, Wenge; Herbert, Brian; Ma, Jianguo; Nguyen, Truc Minh; Schumacher, Richard; Gauss, Carla Maria; Tehim, Ashok Patent: US2005/250808 A1, 2005 ; Location in patent: Page/Page column 38-39 ; US 20050250808 A1
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    References

    • MEMORY PHARMACEUTICALS CORPORATION Patent: WO2005/92890 A2, 2005 ; Location in patent: Page/Page column 79 ; WO 2005/092890 A2
  • Route3
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      Ethyl 5-nitro-1H-indazole-3-carboxylate|CS-0315595
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    References

    • Schmidt, Andreas; Beutler, Ariane; Habeck, Tobias; Mordhorst, Thorsten; Snovydovych, Bohdan Synthesis, 2006 , # 11 p. 1882 - 1894

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   98.12
  • LogP   1.6478
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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