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CS-W001157 4
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1-(5-Nitro-1H-indazol-1-yl)ethan-1-one

  • CAS No. 13436-55-0

  • Cat. No. CS-0171651
  • Purity≥98%
  • MDL No.None

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

1-(5-Nitro-1H-indazol-1-yl)ethan-1-one|CS-0171651

Structure of 13436-55-0

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General Information

  • CAS No. 13436-55-0
  • Cat. No. CS-0171651
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₃
  • Molecular Weight 205.17
  • Synonym(s) 1-(5-Nitro-1H-indazol-1-yl)ethanone
  • SMILES CC(=O)N1C2=CC=C(C=C2C=N1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • US2009/111800 A1, ; Page/Page column 47 ; US 20090111800 A1
  • Route2
    • null|null
      99-52-5
    • ~%
    • 1-(5-Nitro-1H-indazol-1-yl)ethan-1-one|CS-0171651
      13436-55-0

    References

    • Chemische Berichte, , vol. 37, p. 2583
  • Route3
    • null|null
      13436-56-1
    • ~%
    • 1-(5-Nitro-1H-indazol-1-yl)ethan-1-one|CS-0171651
      13436-55-0

    References

    • Chemische Berichte, , vol. 53, p. 1213,1216, 1227

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H317-H318-H400
Precautionary Statements : P261-P272-P273-P280-P302+P352-P305+P351+P338-P362+P364-P391-P501

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Computational Chemistry Data

  • TPSA   78.03
  • LogP   1.6046
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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