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CS-W001157 4
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2-Bromo-5-(trifluoromethoxy)benzonitrile

  • CAS No. 1804402-93-4

  • Cat. No. CS-0202280
  • Molecule weight266.01
  • Purity≥98%
  • MDL No.None

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

2-Bromo-5-(trifluoromethoxy)benzonitrile|CS-0202280

Structure of 1804402-93-4

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General Information

  • CAS No. 1804402-93-4
  • Cat. No. CS-0202280
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃BrF₃NO
  • Molecular Weight 266.01
  • Synonym(s) None
  • SMILES N#CC1=CC(OC(F)(F)F)=CC=C1Br

Description

2-Bromo-5-(trifluoromethoxy)benzonitrile features a trifluoromethoxy group that enhances electron-withdrawal and metabolic stability, while the bromine and nitrile functionalities enable efficient cross-coupling reactions. This aromatic building block integrates readily into complex molecular architectures under standard conditions.

Application

2-Bromo-5-(trifluoromethoxy)benzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo and nitrile functionalities. The trifluoromethoxy group enhances metabolic stability and lipophilicity, while the aryl bromide facilitates efficient C–C bond formation under standard conditions. Its bench-stable nature and compatibility with diverse reaction environments make it ideal for constructing complex heterocyclic scaffolds and functionalized aromatic systems in API development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   3.21938
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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