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CS-W001157 4
Total: USD 88.00

1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid

  • CAS No. 4600-04-8

  • Cat. No. CS-0205074
  • Purity≥98%
  • MDL No.MFCD02110530

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

1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid|CS-0205074

Structure of 4600-04-8

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General Information

  • CAS No. 4600-04-8
  • Cat. No. CS-0205074
  • Purity ≥98%
  • MDL No. MFCD02110530
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₂
  • Molecular Weight 189.17
  • Synonym(s) 1-phenyltriazole-4-carboxylic acid
  • SMILES O=C(O)C=1N=NN(C1)C=2C=CC=CC2

Synthesis

  • Route1
    • Ethyl 1-phenyl-1h-1,2,3-triazole-4-carboxylate|CS-0751453
      4915-97-3
    • ~34%
    • 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid|CS-0205074
      4600-04-8

    References

    • Forest Laboratories Holdings Limited Patent: US2009/239810 A1, 2009 ; Location in patent: Page/Page column 74-75 ; US 20090239810 A1
  • Route2
    • null|null
      622-37-7
    • null|null
      471-25-0
    • ~97%
    • 1-Phenyl-1H-1,2,3-triazole-4-carboxylic acid|CS-0205074
      4600-04-8

    References

    • Kolarovic, Andrej; Schnuerch, Michael; Mihovilovic, Marko D. Journal of Organic Chemistry, 2011 , vol. 76, # 8 p. 2613 - 2618
  • Route3

    References

    • Aufort, Marie; Herscovici, Jean; Bouhours, Pascale; Moreau, Nicole; Girard, Christian Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 3 p. 1195 - 1198

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   68.01
  • LogP   0.9655
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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