CAS 1057670-85-5

4-Chloro-2-(trifluoromethyl)benzenepropanal

Description:

4-Chloro-2-(trifluoromethyl)benzenepropanal, with the CAS number 1057670-85-5, is an organic compound characterized by its aromatic structure and the presence of both a chloro and a trifluoromethyl group. This compound features a benzene ring substituted with a chlorine atom at the para position and a trifluoromethyl group at the ortho position relative to the aldehyde functional group. The aldehyde group (-CHO) is attached to a propanal chain, contributing to its reactivity and potential applications in organic synthesis. The presence of the trifluoromethyl group enhances the compound's lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. Additionally, the chlorine atom can participate in various chemical reactions, such as nucleophilic substitutions. Overall, this compound's unique functional groups and structural features make it a valuable candidate for further research in fields such as pharmaceuticals and agrochemicals.

Formula: C₁₀H₈ClF₃O

InChI: InChI=1S/C10H8ClF3O/c11-8-4-3-7(2-1-5-15)9(6-8)10(12,13)14/h3-6H,1-2H2

InChI key: InChIKey=YWWVSUHIBDPXLY-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=C(CCC=O)C=CC(Cl)=C1

Synonyms:

• Benzenepropanal, 4-chloro-2-(trifluoromethyl)-
• 4-Chloro-2-(trifluoromethyl)benzenepropanal