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CS-W001157 4
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6-Nitro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid

  • CAS No. 85870-49-1

  • Cat. No. CS-0367400
  • Molecule weight234.17
  • Purity≥97%
  • MDL No.None

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

6-Nitro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid|CS-0367400

Structure of 85870-49-1

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General Information

  • CAS No. 85870-49-1
  • Cat. No. CS-0367400
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₂O₅
  • Molecular Weight 234.17
  • Synonym(s) 3-Quinolinecarboxylic acid, 2-hydroxy-6-nitro-
  • SMILES C1=C(C=C2C=C(C(=O)NC2=C1)C(=O)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Hutt, Marland P.; MacKellar, Forrest A. Journal of Heterocyclic Chemistry, 1984 , vol. 21, p. 349 - 352
  • Route2
    • 1,3-Diethyl 2-[(2-nitrophenyl)methylidene]propanedioate|CS-0208653
      17422-56-9
    • ~%
    • 6-Nitro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid|CS-0367400
      85870-49-1

    References

    • Hutt, Marland P.; MacKellar, Forrest A. Journal of Heterocyclic Chemistry, 1984 , vol. 21, p. 349 - 352
  • Route3

    References

    • Hutt, Marland P.; MacKellar, Forrest A. Journal of Heterocyclic Chemistry, 1984 , vol. 21, p. 349 - 352

Safety Information

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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

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Computational Chemistry Data

  • TPSA   113.3
  • LogP   1.1345
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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