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CS-W001157 4
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3,5-Dihydroxybenzonitrile

  • CAS No. 19179-36-3

  • Cat. No. CS-W013359
  • Purity≥98%
  • MDL No.MFCD00016453

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

3,5-Dihydroxybenzonitrile|CS-W013359

Structure of 19179-36-3

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General Information

  • CAS No. 19179-36-3
  • Cat. No. CS-W013359
  • Purity ≥98%
  • MDL No. MFCD00016453
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₂
  • Molecular Weight 135.12
  • Synonym(s) alpha-Resorcylonitrile
  • SMILES N#CC1=CC(O)=CC(O)=C1

Description

3,5-Dihydroxybenzonitrile features a symmetrically substituted benzene ring bearing two hydroxyl groups and a nitrile moiety, enabling versatile functionalization in synthetic chemistry. The electron-rich aromatic core facilitates coupling reactions, while the nitrile group serves as a handle for derivatization. This bench-stable compound integrates readily into bioactive molecule scaffolds and offers enhanced solubility compared to non-hydroxylated analogs.

Application

3,5-Dihydroxybenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of bioactive heterocycles and natural product analogs. Its ortho-dihydroxy functionality supports metal complexation and oxidative coupling, while the nitrile group provides a robust handle for transformation into carboxylic acids, amides, or amines. The compound exhibits good bench stability and facilitates purification via crystallization or chromatography, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H331-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   64.25
  • LogP   0.96948
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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