241154-09-6 | 2,3,5-TRIFLUOROBENZONITRILE

CAS:241154-09-6 | 2,3,5-TRIFLUOROBENZONITRILE,Description

2,3,5-Trifluorobenzonitrile is a chemical compound with the molecular formula C7H2F3N and a molecular weight of 157.09. It is a liquid at room temperature and has a light orange to yellow to green color.

Molecular Structure Analysis

The InChI code for 2,3,5-Trifluorobenzonitrile is 1S/C7H2F3N/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H. This indicates that the molecule consists of a benzene ring with three fluorine atoms and a nitrile group attached.

Physical And Chemical Properties Analysis

2,3,5-Trifluorobenzonitrile has a boiling point of 170.7°C at 760 mmHg. It has a density of 1.36 g/cm3and a refractive index of 1.47. The compound is stored at room temperature.

Scientific Research Applications

• Synthesis of 2,4-dichloro-3,5-difluorobenzoic acid

  • Field: Organic Chemistry
  • Application: 2,3,5-Trifluorobenzonitrile can be used as a precursor in the synthesis of 2,4-dichloro-3,5-difluorobenzoic acid. This compound is a valuable intermediate in the synthesis of various biologically active compounds.
  • Method: The synthesis involves a sequence of reactions including nitration, selective reduction, diazotisation, and chlorination.
  • Results: The synthesis of 2,4-dichloro-3,5-difluorobenzoic acid from 2,3,5-Trifluorobenzonitrile was achieved with a high yield.

• Preparation of Novel Linker in Solid Phase Synthesis

  • Field: Medicinal Chemistry 
  • Application: 2,3,5-Trifluorobenzonitrile can be used in the preparation of a novel linker in solid phase synthesis, specifically 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid.
  • Results: The preparation of the novel linker was successfully achieved using 2,3,5-Trifluorobenzonitrile.
• Highly Regioselective Substitution Reaction
  • Field: Organic Chemistry
  • Application: 2,4,5-Trifluorobenzonitrile can be used in highly regioselective substitution reactions. These reactions are important in organic synthesis as they allow for the selective formation of a single product from a reaction that could potentially yield multiple products.
  • Results: The highly regioselective substitution reaction of 2,4,5-Trifluorobenzonitrile was successfully achieved.

Safety And Hazards

2,3,5-Trifluorobenzonitrile is classified as dangerous. It is toxic if swallowed and causes skin and eye irritation. Precautionary measures include avoiding contact with skin and eyes, using non-sparking tools, and preventing fire caused by electrostatic discharge steam.

Relevant Papers While specific papers on 2,3,5-Trifluorobenzonitrile were not found in the searched resources, there are papers on related trifluorobenzonitriles. For example, one paper describes the synthesis of a novel linker in solid phase synthesis using 2,4,5-Trifluorobenzonitrile.

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