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CAS 868166-29-4

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3-(Methylthio)-5-(trifluoromethyl)benzaldehyde

Description:
3-(Methylthio)-5-(trifluoromethyl)benzaldehyde is an organic compound characterized by its aromatic structure, featuring a benzaldehyde functional group. The presence of a methylthio group (-S-CH3) at the 3-position and a trifluoromethyl group (-CF3) at the 5-position of the benzene ring significantly influences its chemical properties. This compound is typically a pale yellow to light brown liquid or solid, depending on the temperature and purity. It exhibits a strong aromatic odor and is soluble in organic solvents such as ethanol and dichloromethane, but has limited solubility in water due to its hydrophobic characteristics. The trifluoromethyl group enhances the compound's electron-withdrawing properties, which can affect its reactivity and interactions in various chemical reactions, making it useful in synthetic organic chemistry. Additionally, the methylthio group can participate in nucleophilic substitution reactions, further expanding its utility in the development of pharmaceuticals and agrochemicals. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested.
Formula:C9H7F3OS
InChI:InChI=1S/C9H7F3OS/c1-14-8-3-6(5-13)2-7(4-8)9(10,11)12/h2-5H,1H3
InChI key:InChIKey=KUDLXSWPJTYBOX-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C=O)=CC(SC)=C1
Synonyms:
  • 3-(Methylthio)-5-(trifluoromethyl)benzaldehyde
  • 3-Methylsulfanyl-5-(trifluoromethyl)benzaldehyde
  • Benzaldehyde, 3-(methylthio)-5-(trifluoromethyl)-
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