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CS-W001157 4
Total: USD 88.00

5-Nitroindazole-1-carboxylic acid tert-butyl ester

  • CAS No. 129488-09-1

  • Cat. No. CS-M2130
  • Purity≥98%
  • MDL No.MFCD07779196

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

5-Nitroindazole-1-carboxylic acid tert-butyl ester|CS-M2130

Structure of 129488-09-1

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General Information

  • CAS No. 129488-09-1
  • Cat. No. CS-M2130
  • Purity ≥98%
  • MDL No. MFCD07779196
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃N₃O₄
  • Molecular Weight 263.25
  • Synonym(s) tert-Butyl 5-Nitro-1H-indazole-1-carboxylate
  • SMILES CC(C)(C)OC(N1N=CC2=C1C=CC([N+]([O-])=O)=C2)=O

Synthesis

  • Route1

    References

    • AMAKEM NV; BOURIN, Arnaud, Pierre, Jean; LEYSEN, Dirk; DEFERT, Olivier; BOLAND, Sandro Patent: WO2014/68035 A1, 2014 ; Location in patent: Page/Page column 36 ;
  • Route2

    References

    • Ko, Soo S.; Pruitt, James R.; Wacker, Dean A.; Batt, Douglas G. Patent: US2003/32654 A1, 2003 ; US 20030032654 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   87.26
  • LogP   2.7277
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   1

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