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CAS 2740-88-7

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1-Fluoro-4-(isothiocyanatomethyl)benzene

Description:
1-Fluoro-4-(isothiocyanatomethyl)benzene, with the CAS number 2740-88-7, is an organic compound characterized by the presence of a fluorine atom and an isothiocyanate functional group attached to a benzene ring. The fluorine atom is located at the para position relative to the isothiocyanatomethyl group, which contributes to the compound's reactivity and potential applications in various chemical reactions. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It exhibits moderate polarity due to the electronegative fluorine atom and the presence of the isothiocyanate group, which can participate in nucleophilic addition reactions. The isothiocyanate functional group is known for its versatility in organic synthesis, particularly in the formation of thioureas and other derivatives. Additionally, the compound may have applications in medicinal chemistry and material science, although specific uses would depend on further research and development. Safety precautions should be observed when handling this compound, as isothiocyanates can be irritants.
Formula:C8H6FNS
InChI:InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChI key:InChIKey=LPVNPJMEWWUFHD-UHFFFAOYSA-N
SMILES:C(N=C=S)C1=CC=C(F)C=C1
Synonyms:
  • 1-(Isothiocyanatomethyl)-4-fluorobenzene
  • 1-Fluoro-4-(isothiocyanatomethyl)benzene
  • 4-Fluoro-(isothiocyanatomethyl)-benzene
  • Benzene, 1-fluoro-4-(isothiocyanatomethyl)-
  • Isothiocyanic acid, p-fluorobenzyl ester
  • p-Fluorobenzyl isothiocyanate
  • 4-Fluorobenzyl isothiocyanate
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