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CS-W001157 4
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2-Hydroxypyrimidine-5-sulfonic acid

  • CAS No. 40828-51-1

  • Cat. No. CS-0320122
  • Purity≥95%
  • MDL No.None

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

2-Hydroxypyrimidine-5-sulfonic acid|CS-0320122

Structure of 40828-51-1

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General Information

  • CAS No. 40828-51-1
  • Cat. No. CS-0320122
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₂O₄S
  • Molecular Weight 176.15
  • Synonym(s) 2-Hydroxy-pyrimidine-5-sulfonic acid
  • SMILES C1=C(C=NC(=N1)O)S(=O)(=O)O

Description

2-Hydroxypyrimidine-5-sulfonic acid features a hydroxyl group at the 2-position and a sulfonic acid moiety at the 5-position, enabling strong hydrogen bonding and high water solubility. This dual functionality supports applications in bioconjugation and as a building block for sulfonated heterocycles in medicinal chemistry and materials science.

Application

2-Hydroxypyrimidine-5-sulfonic acid serves as a versatile scaffold for the synthesis of bioactive heterocycles, offering a readily accessible site for nucleophilic substitution and metal-catalyzed coupling reactions. Its dual functionality—phenolic hydroxyl and sulfonic acid groups—enables robust derivatization while maintaining solubility and stability under standard reaction conditions. This compound facilitates the construction of pyrimidine-based pharmaceutical intermediates with enhanced polarity and metabolic stability.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   100.38
  • LogP   -0.5711
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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