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CS-W001157 4
Total: USD 88.00

4-Bromo-2,3-difluorobenzonitrile

  • CAS No. 126163-58-4

  • Cat. No. CS-0130919
  • Purity≥97%
  • MDL No.None

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

4-Bromo-2,3-difluorobenzonitrile|CS-0130919

Structure of 126163-58-4

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General Information

  • CAS No. 126163-58-4
  • Cat. No. CS-0130919
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂BrF₂N
  • Molecular Weight 218.00
  • Synonym(s) None
  • SMILES N#CC1=CC=C(Br)C(F)=C1F

Description

4-Bromo-2,3-difluorobenzonitrile features a trifunctional aromatic core with bromine, two fluorine atoms, and a nitrile group positioned for selective coupling. This electron-deficient scaffold enables efficient cross-coupling reactions under standard conditions, delivering complex intermediates in medicinal chemistry and materials synthesis.

Application

4-Bromo-2,3-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its bromine and nitrile functionalities. The difluoro substitution enhances metabolic stability and modulates electronic properties, while the compound exhibits excellent bench stability and compatibility with standard purification techniques.

Safety Information

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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   23.79
  • LogP   2.59898
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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