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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 28862-12-6

  • Cat. No. CS-D0873
  • Purity≥95%
  • MDL No.MFCD08445693

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

1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid|CS-D0873

Structure of 28862-12-6

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General Information

  • CAS No. 28862-12-6
  • Cat. No. CS-D0873
  • Purity ≥95%
  • MDL No. MFCD08445693
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃O₂
  • Molecular Weight 203.20
  • Synonym(s) 1H-1,2,3-triazole-4-carboxylic acid, 1-(phenylmethyl)-
  • SMILES O=C(C1=CN(CC2=CC=CC=C2)N=N1)O

Synthesis

  • Route1
    • null|null
      622-79-7
    • null|null
      471-25-0
    • ~96%
    • 1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid|CS-D0873
      28862-12-6

    References

    • Zheng, Hongchao; McDonald, Robert; Hall, Dennis G. Chemistry - A European Journal, 2010 , vol. 16, # 18 p. 5454 - 5460
  • Route2
    • Methyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate|CS-0455580
      76003-76-4
    • ~%
    • 1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid|CS-D0873
      28862-12-6

    References

    • Aventis Pharma Deutschland GmbH Patent: US2004/220191 A1, 2004 ;
  • Route3
    • null|null
      100-39-0
    • null|null
      471-25-0
    • ~20%
    • 1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid|CS-D0873
      28862-12-6

    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 : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   68.01
  • LogP   1.0246
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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