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CS-W001157 4
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2,4-Dihydroxy-5-nitrobenzoic acid

  • CAS No. 13722-96-8

  • Cat. No. CS-0157859
  • Purity≥98%
  • MDL No.MFCD08693128

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

2,4-Dihydroxy-5-nitrobenzoic acid|CS-0157859

Structure of 13722-96-8

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General Information

  • CAS No. 13722-96-8
  • Cat. No. CS-0157859
  • Purity ≥98%
  • MDL No. MFCD08693128
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₆
  • Molecular Weight 199.12
  • Synonym(s) None
  • SMILES C1=C(C(=CC(=C1[N+](=O)[O-])O)O)C(=O)O

Description

2,4-Dihydroxy-5-nitrobenzoic acid features a conjugated aromatic core bearing two phenolic hydroxyls and a strongly electron-withdrawing nitro group. This arrangement imparts enhanced acidity and redox activity, enabling efficient coupling in synthetic transformations. The molecule demonstrates robust stability under standard conditions, facilitating direct use in derivatization workflows without preactivation.

Application

2,4-Dihydroxy-5-nitrobenzoic acid serves as a versatile building block for bioactive heterocycles and pharmaceutical intermediates. Its ortho-dihydroxy and nitro groups enable selective metal-catalyzed coupling reactions and facilitate efficient derivatization via esterification or amidation. The molecule exhibits good bench stability and is readily purified by recrystallization, supporting its use in multi-step synthesis workflows requiring functional group compatibility.

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 : H302-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   120.9
  • LogP   0.7042
  • H_Acceptors   5
  • H_Donors   3
  • Rotatable_Bonds   2

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