Atomfair 4-Methyl-3-(trifluoromethyl)benzonitrile C9H6F3N

Description 4-Methyl-3-(trifluoromethyl)benzonitrile (CAS No. 261952-06-1) is a high-purity organic compound with the molecular formula C9H6F3N. This aromatic nitrile derivative features a methyl group at the 4-position and a trifluoromethyl group at the 3-position of the benzene ring, offering unique electronic and steric properties for advanced synthetic applications. With a molecular weight of 185.15 g/mol, this compound is a valuable building block in pharmaceutical, agrochemical, and materials science research. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it ideal for medicinal chemistry and drug discovery. Available in >98% purity (HPLC), it is supplied in sealed containers under inert gas to…

Brands:

Description

Description

4-Methyl-3-(trifluoromethyl)benzonitrile (CAS No. 261952-06-1) is a high-purity organic compound with the molecular formula C9H6F3N. This aromatic nitrile derivative features a methyl group at the 4-position and a trifluoromethyl group at the 3-position of the benzene ring, offering unique electronic and steric properties for advanced synthetic applications. With a molecular weight of 185.15 g/mol, this compound is a valuable building block in pharmaceutical, agrochemical, and materials science research. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it ideal for medicinal chemistry and drug discovery. Available in >98% purity (HPLC), it is supplied in sealed containers under inert gas to ensure stability and longevity. Suitable for use in cross-coupling reactions, nucleophilic substitutions, and as a precursor for heterocyclic synthesis.

  • CAS No: 261952-06-1
  • Molecular Formula: C9H6F3N
  • Molecular Weight: 185.15
  • Exact Mass: 185.04523368
  • Monoisotopic Mass: 185.04523368
  • IUPAC Name: 4-methyl-3-(trifluoromethyl)benzonitrile
  • SMILES: CC1=C(C=C(C=C1)C#N)C(F)(F)F
  • Synonyms: 4-Methyl-3-(trifluoromethyl)benzonitrile, 261952-06-1, DTXSID80379605, DTXCID40330631, 640-320-3

Application

4-Methyl-3-(trifluoromethyl)benzonitrile is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of bioactive molecules targeting CNS disorders and inflammation. Its trifluoromethyl group improves binding affinity and pharmacokinetic properties in drug candidates. This compound is also employed in agrochemical research for designing novel pesticides and herbicides. Additionally, it serves as a precursor for liquid crystals and advanced materials due to its aromatic and electron-withdrawing characteristics.

If you are interested or have any questions, please contact us at support@atomfair.com