CAS 836-45-3

1-Fluoro-4-[[(4-fluorophenyl)methyl]thio]benzene

Description:

1-Fluoro-4-[[(4-fluorophenyl)methyl]thio]benzene, with the CAS number 836-45-3, is an organic compound characterized by the presence of both fluorine and sulfur functional groups. It features a fluorobenzene moiety, where a fluorine atom is substituted at the para position relative to a thioether group. The thioether connects to a phenyl ring that also carries a fluorine substituent, contributing to its overall reactivity and properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, and materials science, particularly due to the presence of the fluorine atom, which can enhance lipophilicity and biological activity. Additionally, the thioether linkage may impart unique chemical reactivity, making it a candidate for further chemical transformations. Safety data should be consulted for handling, as compounds containing fluorine and sulfur can pose specific health and environmental risks.

Formula: C₁₃H₁₀F₂S

InChI: InChI=1S/C13H10F2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2

InChI key: InChIKey=AOTPFBDCLQGDTH-UHFFFAOYSA-N

SMILES: C(SC1=CC=C(F)C=C1)C2=CC=C(F)C=C2

Synonyms:

• Benzene, 1-fluoro-4-[[(4-fluorophenyl)methyl]thio]-
• Sulfide, p-fluorobenzyl p-fluorophenyl
• 1-Fluoro-4-[[(4-fluorophenyl)methyl]thio]benzene
• p-Fluorobenzyl p-fluorophenyl sulfide