CAS 885950-56-1

3-Nitro-4-[[[3-(trifluoromethyl)phenyl]methyl]thio]benzaldehyde

Description:

3-Nitro-4-[[[3-(trifluoromethyl)phenyl]methyl]thio]benzaldehyde, with the CAS number 885950-56-1, is an organic compound characterized by its complex structure, which includes a nitro group, a thioether linkage, and a benzaldehyde functional group. This compound typically exhibits a yellow to orange crystalline appearance and is soluble in organic solvents such as dichloromethane and acetone, but may have limited solubility in water. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its reactivity and biological activity. The nitro group is known for its electron-withdrawing properties, which can affect the compound's reactivity in electrophilic aromatic substitution reactions. Additionally, the thioether moiety may impart unique properties, such as increased stability and potential for further chemical modifications. Overall, this compound may be of interest in various fields, including medicinal chemistry and materials science, due to its potential applications in drug development and as a building block for more complex molecules.

Formula: C₁₅H₁₀F₃NO₃S

InChI: InChI=1S/C15H10F3NO3S/c16-15(17,18)12-3-1-2-11(6-12)9-23-14-5-4-10(8-20)7-13(14)19(21)22/h1-8H,9H2

InChI key: InChIKey=AOIPZEHALCKGIL-UHFFFAOYSA-N

SMILES: S(CC1=CC(C(F)(F)F)=CC=C1)C2=C(N(=O)=O)C=C(C=O)C=C2

Synonyms:

• Benzaldehyde, 3-nitro-4-[[[3-(trifluoromethyl)phenyl]methyl]thio]-
• 3-Nitro-4-[[[3-(trifluoromethyl)phenyl]methyl]thio]benzaldehyde