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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 78155-75-6

  • Cat. No. CS-0053882
  • Purity≥95%
  • MDL No.None

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

Methyl 5-nitro-1H-indazole-3-carboxylate|CS-0053882

Structure of 78155-75-6

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General Information

  • CAS No. 78155-75-6
  • Cat. No. CS-0053882
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₄
  • Molecular Weight 221.17
  • Synonym(s) methyl 5-nitroindazolyl-3-carboxylate
  • SMILES O=C(C1=NNC2=C1C=C([N+]([O-])=O)C=C2)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      5-Nitro-1H-indazole-3-carboxylic acid|CS-0050422
      78155-76-7
    • ~62%
    • In-stock
      Methyl 5-nitro-1H-indazole-3-carboxylate|CS-0053882
      78155-75-6

    References

    • SCHERING CORPORATION Patent: WO2008/153858 A1, 2008 ; Location in patent: Page/Page column 272 ; WO 2008/153858 A1
  • Route2
    • null|null
      67-56-1
    • null|null
      201230-82-2
    • In-stock
      3-Iodo-5-nitro-1H-indazole|CS-0019289
      70315-69-4
    • ~59%
    • In-stock
      Methyl 5-nitro-1H-indazole-3-carboxylate|CS-0053882
      78155-75-6

    References

    • Buchstaller, Hans-Peter; Wilkinson, Kai; Burek, Kasimir; Nisar, Yasmin Synthesis, 2011 , # 19 art. no. T48411SS, p. 3089 - 3098
  • Route3
    • null|null
      67-56-1
    • 7-Nitro-1H-indazole-3-carboxylic acid|CS-0049992
      660823-32-5
    • In-stock
      5-Nitro-1H-indazole-3-carboxylic acid|CS-0050422
      78155-76-7
    • ~%
    • Methyl 7-nitro-1H-indazole-3-carboxylate|CS-0723231
      1360893-27-1
    • In-stock
      Methyl 5-nitro-1H-indazole-3-carboxylate|CS-0053882
      78155-75-6

    References

    • ASTEX TECHNOLOGY LIMITED Patent: WO2004/14864 A1, 2004 ; Location in patent: Page 70 ; WO 2004/014864 A1

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   1.2577
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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