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CS-W001157 4
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(3-Trifluoromethoxyphenyl)acetonitrile

  • CAS No. 108307-56-8

  • Cat. No. CS-0059233
  • Molecule weight201.15
  • Purity≥97%
  • MDL No.None

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

(3-Trifluoromethoxyphenyl)acetonitrile|CS-0059233

Structure of 108307-56-8

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General Information

  • CAS No. 108307-56-8
  • Cat. No. CS-0059233
  • 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) 3-(Trifluoromethoxy)phenylacetonitrile
  • SMILES N#CCC1=CC=CC(OC(F)(F)F)=C1

Description

(3-Trifluoromethoxyphenyl)acetonitrile features a trifluoromethoxy group that imparts enhanced lipophilicity and metabolic stability, enabling efficient integration into bioactive scaffolds. The nitrile functionality provides a versatile handle for downstream transformations, including nucleophilic additions and cycloadditions. This compound exhibits excellent bench stability and solubility in common organic solvents, facilitating use in synthetic workflows requiring robust reactivity under standard conditions.

Application

(3-Trifluoromethoxyphenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized aryl nitriles and downstream heterocyclic scaffolds. Its trifluoromethoxy group enhances metabolic stability and modulates lipophilicity, while the nitrile moiety offers reliable transformation pathways via hydrolysis, reduction, or nucleophilic addition. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput synthesis and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.65128
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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