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CS-W001157 4
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2-Bromo-3-(trifluoromethyl)benzonitrile

  • CAS No. 914637-07-3

  • Cat. No. CS-W021595
  • Purity≥97%
  • MDL No.MFCD08532491

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

2-Bromo-3-(trifluoromethyl)benzonitrile|CS-W021595

Structure of 914637-07-3

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General Information

  • CAS No. 914637-07-3
  • Cat. No. CS-W021595
  • Purity ≥97%
  • MDL No. MFCD08532491
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃BrF₃N
  • Molecular Weight 250.02
  • Synonym(s) 2-Bromo-3-(trifluoromethyl)
  • SMILES N#CC1=CC=CC(C(F)(F)F)=C1Br

Description

2-Bromo-3-(trifluoromethyl)benzonitrile features a trifluoromethyl group flanking a nitrile and bromine substituents on a benzene ring, enabling direct functionalization in cross-coupling reactions. This electron-deficient aryl halide integrates readily into complex molecular architectures under palladium catalysis, offering high stability and predictable reactivity in synthetic workflows.

Application

2-Bromo-3-(trifluoromethyl)benzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its reactive bromo group and electron-withdrawing trifluoromethyl and nitrile functionalities. The molecule exhibits good bench stability and facilitates efficient functionalization under standard Suzuki, Stille, or Negishi conditions, with the nitrile group offering additional handles for downstream 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   23.79
  • LogP   3.33958
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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