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3-Chloro-5-nitro-1H-indazole

  • CAS No. 4812-45-7

  • Cat. No. CS-0042805
  • Molecule weight197.58
  • Purity≥98%
  • MDL No.MFCD00005692

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

3-Chloro-5-nitro-1H-indazole|CS-0042805

Structure of 4812-45-7

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General Information

  • CAS No. 4812-45-7
  • Cat. No. CS-0042805
  • Purity ≥98%
  • MDL No. MFCD00005692
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClN₃O₂
  • Molecular Weight 197.58
  • Synonym(s) Indazole, 3-chloro-5-nitro-
  • SMILES [O-][N+](=O)C1=CC=C2NN=C(Cl)C2=C1

Synthesis

  • Route1

    References

    • Souers, Andrew J.; Collins, Christine A.; Gao, Ju; Judd, Andrew S.; Kym, Philip R.; Mulhern, Mathew M.; Sham, Hing L.; Wodka, Dariusz Patent: US2005/277638 A1, 2005 ; Location in patent: Page/Page column 48 ; US 20050277638 A1
  • Route2

    References

    • Binch, Hayley; Brenchley, Guy; Golec, Julian M. C.; Knegtel, Ronald; Mortimore, Michael; Patel, Sanjay; Rutherford, Alistair Patent: US2004/9968 A1, 2004 ; US 20040009968 A1
  • Route3
    • 5-Nitro-1,2-dihydro-3H-indazol-3-one|CS-0085349
      61346-19-8
    • null|null
      7719-12-2
    • ~%
    • In-stock
      3-Chloro-5-nitro-1H-indazole|CS-0042805
      4812-45-7

    References

    • Kenner; Witham Journal of the Chemical Society, 1921 , vol. 119, p. 1057

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   2.1245
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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