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CAS 2740-86-5

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Benzene, 1-fluoro-4-(2-isothiocyanatoethyl)-

Description:
Benzene, 1-fluoro-4-(2-isothiocyanatoethyl)-, also known by its CAS number 2740-86-5, is an organic compound characterized by a benzene ring substituted with a fluorine atom and an isothiocyanate group. The presence of the fluorine atom enhances the compound's reactivity and can influence its physical properties, such as boiling and melting points. The isothiocyanate functional group (-N=C=S) is known for its biological activity and potential applications in medicinal chemistry, particularly in the development of anticancer agents and other pharmaceuticals. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is important to handle this substance with care due to its potential toxicity and reactivity, particularly in the presence of nucleophiles. Additionally, its unique structure allows for various chemical reactions, making it a valuable intermediate in organic synthesis and materials science. As with all chemical substances, proper safety protocols should be followed when working with this compound.
Formula:C9H8FNS
InChI:InChI=1S/C9H8FNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
InChI key:InChIKey=ZNXRFHTVDQAAAB-UHFFFAOYSA-N
SMILES:C(CN=C=S)C1=CC=C(F)C=C1
Synonyms:
  • Benzene, 1-fluoro-4-(2-isothiocyanatoethyl)-
  • 1-Fluoro-4-(2-isothiocyanatoethyl)benzene
  • Isothiocyanic acid, p-fluorophenethyl ester
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