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

  • CAS No. 40621-84-9

  • Cat. No. CS-0019178
  • Purity≥97%
  • MDL No.MFCD07082699

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

3-Methyl-5-nitro-1H-indazole|CS-0019178

Structure of 40621-84-9

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General Information

  • CAS No. 40621-84-9
  • Cat. No. CS-0019178
  • Purity ≥97%
  • MDL No. MFCD07082699
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃O₂
  • Molecular Weight 177.16
  • Synonym(s) 3-methyl-5-nitro-2H-indazole
  • SMILES O=[N+](C1=CC2=C(NN=C2C)C=C1)[O-]

Synthesis

  • Route1

    References

    • Nagarathnam, Dhanapalan; Khire, Uday; Asgari, Davoud; Shao, Jianxing; Liu, Xiao-Gao; Wang, Chunguang; Hart, Barry; Weber, Olaf; Lynch, Mark; Zhang, Lei; Wang, Lei Patent: US2004/14755 A1, 2004 ; Location in patent: Page/Page column 21 ; US 20040014755 A1
  • Route2

    References

    • DAEWOONG PHARMACEUTICAL CO., LTD. Patent: WO2006/109933 A1, 2006 ; Location in patent: Page/Page column 48-49 ;
  • Route3

    References

    • Li, Xiaoming; Chu, Sam; Feher, Victoria A.; Khalili, Mitra; Nie, Zhe; Margosiak, Stephen; Nikulin, Victor; Levin, James; Sprankle, Kelly G.; Tedder, Martina E.; Almassy, Robert; Appelt, Krzysztof; Yager, Kraig M. Journal of Medicinal Chemistry, 2003 , vol. 46, # 26 p. 5663 - 5673

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   71.82
  • LogP   1.77952
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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