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CS-W001157 4
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2-Methoxy-5-(trifluoromethyl)benzonitrile

  • CAS No. 34636-92-5

  • Cat. No. CS-W015560
  • Purity≥97%
  • MDL No.None

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

2-Methoxy-5-(trifluoromethyl)benzonitrile|CS-W015560

Structure of 34636-92-5

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General Information

  • CAS No. 34636-92-5
  • Cat. No. CS-W015560
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO
  • Molecular Weight 201.15
  • Synonym(s) Benzonitrile, 2-methoxy-5-(trifluoromethyl)-
  • SMILES COC1=C(C=C(C=C1)C(F)(F)F)C#N

Description

2-Methoxy-5-(trifluoromethyl)benzonitrile features a trifluoromethyl group that imparts strong electron-withdrawing character and enhanced metabolic stability, while the methoxy substituent provides moderate electron-donating effects. This balance enables efficient coupling in transition-metal-catalyzed reactions, particularly in Suzuki-Miyaura and Buchwald-Hartwig transformations. The molecule exhibits excellent bench stability and solubility in common organic solvents, facilitating straightforward handling during synthetic workflows.

Application

2-Methoxy-5-(trifluoromethyl)benzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, benzoxazoles, and other heterocyclic scaffolds. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the methoxy and nitrile functionalities offer orthogonal reactivity for downstream functionalization. The compound exhibits excellent bench stability and is compatible with standard coupling and cyclization protocols.

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 : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.58568
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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