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CAS 321345-36-2

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1-Fluoro-3-[isocyano[(4-methylphenyl)sulfonyl]methyl]benzene

Description:
1-Fluoro-3-[isocyano[(4-methylphenyl)sulfonyl]methyl]benzene, identified by its CAS number 321345-36-2, is a chemical compound characterized by the presence of a fluorine atom and an isocyanide functional group attached to a benzene ring. This compound features a sulfonyl group linked to a 4-methylphenyl moiety, which contributes to its unique chemical properties. The fluorine atom enhances the compound's reactivity and can influence its electronic properties, making it potentially useful in various synthetic applications. The isocyanide group is known for its versatility in organic synthesis, particularly in the formation of carbon-nitrogen bonds. Additionally, the presence of the sulfonyl group may impart increased solubility in polar solvents and enhance the compound's stability. Overall, this compound's structure suggests potential applications in medicinal chemistry and materials science, although specific reactivity and stability would depend on the surrounding conditions and the presence of other functional groups.
Formula:C15H12FNO2S
InChI:InChI=1S/C15H12FNO2S/c1-11-6-8-14(9-7-11)20(18,19)15(17-2)12-4-3-5-13(16)10-12/h3-10,15H,1H3
InChI key:InChIKey=QOEGZIMRMSXLIL-UHFFFAOYSA-N
SMILES:C(S(=O)(=O)C1=CC=C(C)C=C1)([N+]#[C-])C2=CC(F)=CC=C2
Synonyms:
  • 1-Fluoro-3-{isocyano[(4-methylphenyl)sulfonyl]methyl}benzene
  • Benzene, 1-fluoro-3-[isocyano[(4-methylphenyl)sulfonyl]methyl]-
  • α-(p-Tolylsulfonyl)-3-fluorobenzyl isocyanide
  • (3-Fluorophenyl)(isocyano)methyl 4-methylphenyl sulfone
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