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CAS 351003-66-2

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1-Fluoro-4-isothiocyanato-2-methylbenzene

Description:
1-Fluoro-4-isothiocyanato-2-methylbenzene, with the CAS number 351003-66-2, is an organic compound characterized by the presence of a fluorine atom, an isothiocyanate functional group, and a methyl substituent on a benzene ring. This compound features a fluorine atom at the para position relative to the isothiocyanate group, which can influence its reactivity and polarity. The isothiocyanate group (-N=C=S) is known for its versatility in organic synthesis, particularly in the formation of thioureas and other derivatives. The methyl group at the ortho position can affect steric hindrance and electronic properties, potentially impacting the compound's reactivity in nucleophilic substitution reactions. Additionally, the presence of the fluorine atom may enhance the compound's stability and alter its solubility in various solvents. Overall, 1-Fluoro-4-isothiocyanato-2-methylbenzene is of interest in synthetic organic chemistry and may have applications in the development of pharmaceuticals or agrochemicals.
Formula:C8H6FNS
InChI:InChI=1S/C8H6FNS/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3
InChI key:InChIKey=UNHFKKWNCOJAKR-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CC(C)=C(F)C=C1
Synonyms:
  • 1-Fluoro-2-methyl-4-isothiocyanatobenzene
  • Benzene, 1-fluoro-4-isothiocyanato-2-methyl-
  • 1-Fluoro-4-isothiocyanato-2-methylbenzene
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