CAS 194853-86-6

4-fluoro-2-(trifluoromethyl)benzonitrile

Description:

4-Fluoro-2-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a fluorine atom and a trifluoromethyl group, as well as a nitrile functional group. The presence of the trifluoromethyl group significantly influences its chemical properties, enhancing its lipophilicity and potentially its reactivity. This compound is typically a solid at room temperature and may exhibit a crystalline form. It is often utilized in various chemical syntheses and research applications, particularly in the development of pharmaceuticals and agrochemicals due to its unique electronic properties. The fluorine substituents can impart increased stability and alter the compound's interaction with biological systems. Additionally, 4-fluoro-2-(trifluoromethyl)benzonitrile may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, which can be useful for its identification and analysis in laboratory settings. Safety data should be consulted for handling and storage, as fluorinated compounds can pose unique hazards.

Formula: C₈H₃F₄N

InChI: InChI=1/C8H3F4N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H

SMILES: c1cc(cc(c1C#N)C(F)(F)F)F

Synonyms:

• 2-Cyano-5-fluorobenzotrifluoride
• alpha,alpha,alpha,4-Tetrafluoro-o-tolunitrile
• 4-Fluoro-2-Trifluoromethylbenzonitrile
• 2-Trifluoromethyl-4-Fluorobenzonitrile
• 4-FLUORO-2-(TRIFLUOROMETHYL)BENZONITRILE, 98+%
• 4-FLUORO-2-(TRIFLUOROMETHYL)BENZONITRILE/A,A,A,4-TETRAFLUORO-O-TOLUNITRILE
• 2-Cyano-5-fluorobenzotrifluoride~alpha,alpha,alpha,4-Tetrafluoro-o-tolunitrile
• à,à,à,4-tetrafluoro-o-tolunitrile
• 4-Fluoro-2-(trifluoromethyl)benzonitrile97%
• 4-Fluoro-2-(Trifluoromethyl)Benzonitrile/A,A,A,4-Tetrafluoro-O-Tolunitrile/2-Cyano-5-Fluorobenzotrifluoride
• 4-FLUORO-2-(TRIFLUOROMETHYL)BENZONITRILE

4-Fluoro-2-(trifluoromethyl)benzonitrile, 98+%

CAS: 194853-86-6

It is used as a pharmaceutical intermediate. It is also used for the synthesis of diphenylthioethers. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesa

Formula: C₈H₃F₄N

Purity: 98+%

Color and Shape: White, Lumps or fused solid

Molecular weight: 189.11

Ref: 02-B20617

4-Fluoro-2-(trifluoromethyl);benzonitrile

CAS: 194853-86-6

Formula: C₈H₃F₄N

Purity: 96%

Color and Shape: Solid

Molecular weight: 189.1097

Ref: IN-DA003LDL

4-Fluoro-2-trifluoromethylbenzonitrile

CAS: 194853-86-6

Formula: C₈H₃F₄N

Molecular weight: 189.11

Ref: 7W-GK5027

4-Fluoro-2-(trifluoromethyl)benzonitrile

CAS: 194853-86-6

4-Fluoro-2-(trifluoromethyl)benzonitrile

Formula: C₈H₃F₄N

Purity: 97%

Color and Shape: light orange-brown crystals

Molecular weight: 189.11g/mol

Ref: 54-PC4373J

4-Fluoro-2-(trifluoromethyl)benzonitrile

CAS: 194853-86-6

Formula: C₈H₃F₄N

Purity: >98.0%(GC)

Color and Shape: White to Light yellow to Light orange powder to crystal

Molecular weight: 189.11

Ref: 3B-F0309

4-Fluoro-2-(trifluoromethyl)benzonitrile

CAS: 194853-86-6

4-Fluoro-2-(trifluoromethyl)benzonitrile is a potential anticancer drug that has been shown to inhibit the growth of cancer cells in vitro. It is a Grignard reagent that can be used to synthesize pyrazole derivatives. 4-Fluoro-2-(trifluoromethyl)benzonitrile inhibits the production of estrogen, which leads to castration-resistant prostate cancer. This drug also has an amide group, which may be due to modifications by formylation or dehydrating. 4-Fluoro-2-(trifluoromethyl)benzonitrile was isolated from a reaction mixture with chloroform and potassium hydroxide in a yield of 3%.

Formula: C₈H₃F₄N

Purity: Min. 95%

Color and Shape: Solid

Molecular weight: 189.11 g/mol

Ref: 3D-FF64158

4-Fluoro-2-(trifluoromethyl)benzonitrile

CAS: 194853-86-6

Formula: C₈H₃F₄N

Purity: 96%

Color and Shape: Solid, Crystalline

Molecular weight: 189.113

Ref: 10-F002205

4-Fluoro-2-(trifluoromethyl)benzonitrile

Controlled Product

CAS: 194853-86-6

Applications 4-Fluoro-2-(trifluoromethl)benzonitrile is a reagent used in the synthesis of 5-substituted-1H-tetrazoles as antibacterials.
References Sivaguru, P. et al.: Tetrahedron Lett., 56, 2203 (2015); Shi, G et al.: Org. Lett., 17, 38 (2015);

Formula: C₈H₃F₄N

Color and Shape: Neat

Molecular weight: 189.11

Ref: TR-F596455