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CS-W001157 4
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3-Bromo-5-fluoro-2-hydroxybenzonitrile

  • CAS No. 28165-66-4

  • Cat. No. CS-0450413
  • Molecule weight216.01
  • Purity≥98%
  • MDL No.MFCD24728651

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

3-Bromo-5-fluoro-2-hydroxybenzonitrile|CS-0450413

Structure of 28165-66-4

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General Information

  • CAS No. 28165-66-4
  • Cat. No. CS-0450413
  • Purity ≥98%
  • MDL No. MFCD24728651
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrFNO
  • Molecular Weight 216.01
  • Synonym(s) None
  • SMILES C1=C(C#N)C(=C(C=C1F)Br)O

Description

3-Bromo-5-fluoro-2-hydroxybenzonitrile features a trifunctional aromatic core with bromine, fluorine, and hydroxyl groups positioned ortho and para to the nitrile. This electron-deficient scaffold enables direct coupling in cross-coupling reactions and serves as a building block for bioactive heterocycles and functional materials.

Application

3-Bromo-5-fluoro-2-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its strategic substitution pattern—bromine for cross-coupling, fluorine for metabolic stability, hydroxyl for derivatization, and nitrile for further functionalization—facilitates diverse transformations under standard reaction conditions. The compound exhibits good bench stability and is compatible with palladium-catalyzed coupling reactions, making it a reliable scaffold for targeted molecular design.

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   2.16548
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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