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CS-W001157 4
Total: USD 88.00

4-Bromo-3-hydroxybenzonitrile

  • CAS No. 916213-60-0

  • Cat. No. CS-W022102
  • Purity≥97%
  • MDL No.MFCD16999194

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

4-Bromo-3-hydroxybenzonitrile|CS-W022102

Structure of 916213-60-0

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General Information

  • CAS No. 916213-60-0
  • Cat. No. CS-W022102
  • Purity ≥97%
  • MDL No. MFCD16999194
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNO
  • Molecular Weight 198.02
  • Synonym(s) None
  • SMILES N#CC1=CC=C(Br)C(O)=C1

Description

4-Bromo-3-hydroxybenzonitrile features a bromine substituent and a hydroxyl group flanking a nitrile moiety on a benzene ring, enabling diverse functionalization. This electron-deficient scaffold facilitates coupling reactions and serves as a key intermediate in the synthesis of pharmaceuticals and functional materials.

Application

4-Bromo-3-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl and nitrile groups. Its bromine site facilitates palladium-catalyzed cross-coupling reactions, while the hydroxyl group supports derivatization via etherification or esterification. The molecule exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthesis of heterocyclic scaffolds and API intermediates.

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   2.02638
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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