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CS-W001157 4
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Methyl 1-methyl-5-nitro-1H-pyrazole-3-carboxylate

  • CAS No. 796038-07-8

  • Cat. No. CS-0047215
  • Purity≥97%
  • MDL No.None

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

Methyl 1-methyl-5-nitro-1H-pyrazole-3-carboxylate|CS-0047215

Structure of 796038-07-8

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General Information

  • CAS No. 796038-07-8
  • Cat. No. CS-0047215
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O₄
  • Molecular Weight 185.14
  • Synonym(s) 1H-Pyrazole-3-carboxylicacid,1-methyl-5-nitro-,methylester
  • SMILES [O-][N+](C1=CC(C(OC)=O)=NN1C)=O

Synthesis

  • Route1

    References

    • KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY Patent: US2010/63106 A1, 2010 ; Location in patent: Page/Page column 13 ;
  • Route2

    References

    • CGI PHARMACEUTICALS, INC.; GENENTECH, INC.; BARBOSA, Antonio, J., Jr.; BLOMGREN, Peter, A.; CURRIE, Kevin, S.; LEE, Seung, H.; KROPF, Jeffrey, E.; MITCHELL, Scott, A.; ORTWINE, Daniel; RENNELLS, William, M.; SCHMITT, Aaron, C.; XU, Jianjun; YOUNG, Wendy, B.; ZHAO, Zhongdong; ZHICHKIN, Pavel, E. Patent: WO2010/56875 A1, 2010 ; Location in patent: Page/Page column 205-206 ;
  • Route3

    References

    • ELAN PHARMACEUTICALS, INC. Patent: WO2004/98589 A1, 2004 ; Location in patent: Page 165-166 ; WO 2004/098589 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   87.26
  • LogP   0.1149
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   2

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