CAS 149793-69-1

3-fluoro-5-(trifluoromethyl)benzonitrile

Description:

3-Fluoro-5-(trifluoromethyl)benzonitrile is an aromatic compound characterized by the presence of a nitrile group (-C≡N) attached to a benzene ring that also features a fluorine atom and a trifluoromethyl group (-CF3) at specific positions. The molecular structure indicates that it has a high degree of fluorination, which typically enhances its lipophilicity and stability, making it useful in various chemical applications, including pharmaceuticals and agrochemicals. The presence of the trifluoromethyl group often imparts unique electronic properties, influencing the compound's reactivity and interaction with biological systems. This compound is likely to be a solid at room temperature, exhibiting moderate to high melting and boiling points due to the strong intermolecular forces associated with its polar functional groups. Additionally, its fluorinated nature may contribute to low solubility in water but increased solubility in organic solvents. Safety data should be consulted for handling, as fluorinated compounds can pose specific health and environmental risks.

Formula: C₈H₃F₄N

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

SMILES: c1c(cc(cc1C(F)(F)F)F)C#N

Synonyms:

• 3-Cyano-5-fluorobenzotrifluoride
• alpha,alpha,alpha,5-Tetrafluoro-m-tolunitrile

Benzonitrile, 3-fluoro-5-(trifluoromethyl)-

CAS: 149793-69-1

Formula: C₈H₃F₄N

Purity: 97%

Color and Shape: Liquid

Molecular weight: 189.1097

Ref: IN-DA001M06

3-Fluoro-5-(trifluoromethyl)benzonitrile

CAS: 149793-69-1

3-Fluoro-5-(trifluoromethyl)benzonitrile

Formula: C₈H₃F₄N

Purity: 97%

Color and Shape: hazy. faint lemon liquid

Molecular weight: 189.11g/mol

Ref: 54-PC4373I

3-Fluoro-5-trifluoromethylbenzonitrile

CAS: 149793-69-1

Formula: C₈H₃F₄N

Molecular weight: 189.11

Ref: 7W-GK9045

3-Fluoro-5-(trifluoromethyl)benzonitrile

CAS: 149793-69-1

Formula: C₈H₃F₄N

Purity: >98.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 189.11

Ref: 3B-F0994

3-Fluoro-5-(trifluoromethyl)benzonitrile

CAS: 149793-69-1

Formula: C₈H₃F₄N

Purity: 97%

Color and Shape: Liquid

Molecular weight: 189.113

Ref: 10-F002160

3-Fluoro-5-trifluoromethylbenzonitrile

Controlled Product

CAS: 149793-69-1

Applications 3-Fluoro-5-trifluoromethylbenzonitrile is a reagent used in the synthesis of cholesteryl ester transfer protein (CETP) inhibitors in the treatment of high cholesterol. Also used in the preparation of substituted pyrimidines with dithioacetals for antimicrobial activity.
References Qiao, J. et al.: J. Med. Chem., 58, 9010 (2015); Gami, S. et al.: J. Hetero. Chem., 52, 751 (2015);

Formula: C₈H₃F₄N

Color and Shape: Neat

Molecular weight: 189.11

Ref: TR-F596570

3-fluoro-5-(trifluoromethyl)benzonitrile

CAS: 149793-69-1

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Formula: C₈H₃F₄N

Purity: Min. 95%

Molecular weight: 189.11 g/mol

Ref: 3D-FF105156