CAS 111991-23-2

4-[(Trifluoromethyl)thio]benzeneacetaldehyde

Description:

4-[(Trifluoromethyl)thio]benzeneacetaldehyde, with the CAS number 111991-23-2, is an organic compound characterized by the presence of a trifluoromethylthio group attached to a benzene ring, along with an aldehyde functional group. This compound typically exhibits a pale yellow to light brown appearance and is known for its distinct odor. The trifluoromethyl group contributes to its unique chemical reactivity and stability, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The aldehyde functional group allows for further chemical modifications, such as condensation reactions or reductions. In terms of solubility, it is generally soluble in organic solvents, which facilitates its use in various chemical reactions. Additionally, the presence of fluorine atoms can enhance the compound's lipophilicity and influence its biological activity. Safety precautions should be taken when handling this compound, as it may pose health risks, including irritation or toxicity, depending on exposure levels.

Formula: C₉H₇F₃OS

InChI: InChI=1S/C9H7F3OS/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4,6H,5H2

InChI key: InChIKey=SWAYNTPRMAWRBJ-UHFFFAOYSA-N

SMILES: S(C(F)(F)F)C1=CC=C(CC=O)C=C1

Synonyms:

• Benzeneacetaldehyde, 4-[(trifluoromethyl)thio]-
• 4-[(Trifluoromethyl)thio]benzeneacetaldehyde
• 2-[4-[(Trifluoromethyl)sulfanyl]phenyl]acetaldehyde
• 2-(4-((Trifluoromethyl)thio)phenyl)acetaldehyde