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CS-W001157 4
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1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

  • CAS No. 54698-60-1

  • Cat. No. CS-0206883
  • Molecule weight217.22
  • Purity≥98%
  • MDL No.MFCD06411557

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

1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid|CS-0206883

Structure of 54698-60-1

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General Information

  • CAS No. 54698-60-1
  • Cat. No. CS-0206883
  • Purity ≥98%
  • MDL No. MFCD06411557
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁N₃O₂
  • Molecular Weight 217.22
  • Synonym(s) 1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID
  • SMILES CC1=C(C(=O)O)N=NN1CC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Zheng, Hongchao; McDonald, Robert; Hall, Dennis G. Chemistry - A European Journal, 2010 , vol. 16, # 18 p. 5454 - 5460
  • Route2
    • Ethyl 1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylate|CS-0318590
      133992-58-2
    • ~%
    • 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid|CS-0206883
      54698-60-1

    References

    • European journal of medicinal chemistry, , vol. 38, # 11-12 p. 983 - 990

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-H315-H319-H332-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   68.01
  • LogP   1.33302
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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