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CS-W001157 4
Total: USD 88.00

3-Nitrocinnoline

  • CAS No. 21905-82-8

  • Cat. No. CS-0044972
  • Purity≥95%
  • MDL No.None

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

3-Nitrocinnoline|CS-0044972

Structure of 21905-82-8

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General Information

  • CAS No. 21905-82-8
  • Cat. No. CS-0044972
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃O₂
  • Molecular Weight 175.14
  • Synonym(s) None
  • SMILES O=[N+](C1=NN=C2C=CC=CC2=C1)[O-]

Synthesis

  • Route1
    • 1-(Dimethoxymethyl)-2-nitrobenzene|CS-1717800
      20627-73-0
    • ~%
    • 3-Nitrocinnoline|CS-0044972
      21905-82-8

    References

    • Baumgarten et al. Journal of the American Chemical Society, 1958 , vol. 80, p. 1977,1979

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   68.92
  • LogP   1.538
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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