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CS-W001157 4
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4-Bromo-2-fluoro-6-hydroxybenzonitrile

  • CAS No. 1227918-06-0

  • Cat. No. CS-0369457
  • Molecule weight216.01
  • Purity≥98%
  • MDL No.None

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

4-Bromo-2-fluoro-6-hydroxybenzonitrile|CS-0369457

Structure of 1227918-06-0

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General Information

  • CAS No. 1227918-06-0
  • Cat. No. CS-0369457
  • Purity ≥98%
  • MDL No. None
  • 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 N#CC1=C(O)C=C(Br)C=C1F

Description

4-Bromo-2-fluoro-6-hydroxybenzonitrile features a trifunctional aromatic core with bromine, fluorine, and hydroxyl groups positioned ortho to one another, enabling selective derivatization. The nitrile moiety provides a polar handle for downstream coupling reactions. This bench-stable compound serves as a key intermediate in the synthesis of bioactive heterocycles and functionalized aryl scaffolds.

Application

4-Bromo-2-fluoro-6-hydroxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl group and selective substitution at the bromo and fluoro positions. Its compatibility with palladium-catalyzed cross-coupling reactions and orthogonality of reactive sites facilitates efficient synthesis of complex heterocyclic scaffolds and API intermediates. The compound exhibits good bench stability and is amenable to standard purification methods.

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   2.16548
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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