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CS-W001157 4
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4,4'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)diphenol

  • CAS No. 223645-69-0

  • Cat. No. CS-0547592
  • Purity≥98%
  • MDL No.None

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

4,4'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)diphenol|CS-0547592

Structure of 223645-69-0

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General Information

  • CAS No. 223645-69-0
  • Cat. No. CS-0547592
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂N₄O₂
  • Molecular Weight 268.27
  • Synonym(s) 4-[4-amino-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]benzenol
  • SMILES C1=CC(=CC=C1C2=NN=C(N2N)C3=CC=C(C=C3)O)O

Synthesis

  • Route1
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~96%
    • 4,4'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)diphenol|CS-0547592
      223645-69-0

    References

    • Bentiss, Fouad; Lagrenee, Michel; Barbry, Didier Tetrahedron Letters, 2000 , vol. 41, # 10 p. 1539 - 1541

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   97.19
  • LogP   1.7371
  • H_Acceptors   6
  • H_Donors   3
  • Rotatable_Bonds   2

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