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CS-W001157 4
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4-Bromo-2-hydroxybenzonitrile

  • CAS No. 288067-35-6

  • Cat. No. CS-W008740
  • Purity≥97%
  • MDL No.MFCD07780675

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

4-Bromo-2-hydroxybenzonitrile|CS-W008740

Structure of 288067-35-6

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General Information

  • CAS No. 288067-35-6
  • Cat. No. CS-W008740
  • Purity ≥97%
  • MDL No. MFCD07780675
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNO
  • Molecular Weight 198.02
  • Synonym(s) 5-Bromo-2-cyanophenol
  • SMILES N#CC1=CC=C(Br)C=C1O

Description

4-Bromo-2-hydroxybenzonitrile features a bromine atom at the para position relative to a hydroxyl group on a benzonitrile scaffold. This electron-deficient aryl system combines enhanced reactivity with stable handling, enabling direct functionalization in cross-coupling and derivatization workflows. The phenolic hydroxyl supports hydrogen bonding and solubility modulation, while the nitrile group provides a versatile anchor for synthetic transformations.

Application

4-Bromo-2-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the phenolic hydroxyl group. Its bromine and nitrile functionalities provide orthogonal handles for palladium-catalyzed cross-coupling and nucleophilic transformations. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns requiring regioselective derivatization.

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

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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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