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CS-W001157 4
Total: USD 88.00

4-Ketobenztriazine-CH2COOH

  • CAS No. 97609-01-3

  • Cat. No. CS-0070106
  • Purity≥97%
  • MDL No.MFCD02935497

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

4-Ketobenztriazine-CH2COOH|CS-0070106

Structure of 97609-01-3

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General Information

  • CAS No. 97609-01-3
  • Cat. No. CS-0070106
  • Purity ≥97%
  • MDL No. MFCD02935497
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₃
  • Molecular Weight 205.17
  • Synonym(s) None
  • SMILES O=C1N(CC(O)=O)N=NC2=CC=CC=C12

Synthesis

  • Route1
    • Ethyl 2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetate|CS-0232719
      113169-47-4
    • ~%
    • 4-Ketobenztriazine-CH2COOH|CS-0070106
      97609-01-3

    References

    • Journal of the American Chemical Society, , vol. 77, p. 6562
  • Route2
    • null|null
      134-20-3
    • ~%
    • 4-Ketobenztriazine-CH2COOH|CS-0070106
      97609-01-3

    References

    • Journal of the American Chemical Society, , vol. 77, p. 6562
  • Route3

    References

    • Journal of Agricultural and Food Chemistry, , vol. 47, # 3 p. 1276 - 1284

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319-H317
Precautionary Statements : P261-P272-P280-P302+P352-P333+P317-P362+P364-P501-P264-P280-P305+P351+P338-P337+P313

Quality Control

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Computational Chemistry Data

  • TPSA   85.08
  • LogP   -0.1239
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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