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CAS 64382-80-5

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2-fluorobenzyl isothiocyanate

Description:
2-Fluorobenzyl isothiocyanate is an organic compound characterized by the presence of both a fluorobenzyl group and an isothiocyanate functional group. Its molecular structure features a benzene ring substituted with a fluorine atom at the second position and an isothiocyanate group (-N=C=S) attached to the benzyl carbon. This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of the isothiocyanate functional group, which is known for its reactivity and potential biological activity. 2-Fluorobenzyl isothiocyanate is soluble in organic solvents and may exhibit moderate solubility in water. It is often used in chemical synthesis and research, particularly in the development of pharmaceuticals and agrochemicals. The presence of the fluorine atom can influence the compound's reactivity and biological properties, making it a subject of interest in medicinal chemistry. As with many isothiocyanates, it may possess antimicrobial and anticancer properties, although specific biological activities would depend on further empirical studies. Proper handling and safety precautions are essential due to its potential toxicity and reactivity.
Formula:C8H6FNS
InChI:InChI=1/C8H6FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2
SMILES:c1ccc(c(c1)CN=C=S)F
Synonyms:
  • 1-Fluoro-2-(Isothiocyanatomethyl)Benzene
  • 2-Fluorobenzyl isothiocyanate
  • 2-Fluorobenzylisothiocyanate98%
  • Benzene, 1-fluoro-2-(isothiocyanatomethyl)-
  • 2-Fluorobenzyl isothiocyanate 98%
  • 2-(Isothiocyanatomethyl)fluorobenzene
  • 2-Fluorobenzyl isothiocyate, 98%
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