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CAS 1288998-96-8

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5-(Methylthio)-2-(trifluoromethyl)benzaldehyde

Description:
5-(Methylthio)-2-(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 5-position and a trifluoromethyl group (-CF3) at the 2-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 its purity and temperature. It exhibits a strong aromatic odor and is soluble in organic solvents such as dichloromethane and ethyl acetate, but has limited solubility in water. The trifluoromethyl group enhances the compound's electron-withdrawing characteristics, which can affect its reactivity in various chemical reactions, including electrophilic aromatic substitution. Additionally, the methylthio group can participate in nucleophilic reactions, making this compound of interest in synthetic organic chemistry and potential applications in 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/c1-14-7-2-3-8(9(10,11)12)6(4-7)5-13/h2-5H,1H3
InChI key:InChIKey=BBNVATWBDVAXMG-UHFFFAOYSA-N
SMILES:C(=O)C1=C(C(F)(F)F)C=CC(SC)=C1
Synonyms:
  • 5-(Methylthio)-2-(trifluoromethyl)benzaldehyde
  • Benzaldehyde, 5-(methylthio)-2-(trifluoromethyl)-
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