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CAS 302912-39-6

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Benzene, 1,3-difluoro-5-isothiocyanato-

Description:
Benzene, 1,3-difluoro-5-isothiocyanato- is an organic compound characterized by its aromatic benzene ring substituted with two fluorine atoms and an isothiocyanate group. The presence of the isothiocyanate (-N=C=S) functional group imparts unique reactivity, making it useful in various chemical syntheses and applications, particularly in the field of agrochemicals and pharmaceuticals. The difluorination at the 1 and 3 positions of the benzene ring enhances the compound's stability and alters its electronic properties, potentially affecting its reactivity and interactions with biological systems. This compound may exhibit specific physical properties such as volatility and solubility, influenced by the fluorine substituents and the isothiocyanate group. Additionally, the presence of fluorine can enhance lipophilicity, which may affect the compound's bioavailability and environmental behavior. As with many isothiocyanates, it may also exhibit biological activity, including potential antimicrobial or herbicidal properties. Proper handling and safety measures are essential due to the potential toxicity associated with isothiocyanate compounds.
Formula:C7H3F2NS
InChI:InChI=1S/C7H3F2NS/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChI key:InChIKey=DXELGKWEMRVTGD-UHFFFAOYSA-N
SMILES:N(=C=S)C1=CC(F)=CC(F)=C1
Synonyms:
  • 3,5-Difluorophenyl isothiocyanate
  • 3,5-Difluorophenylisothiocyanate
  • Benzene, 1,3-difluoro-5-isothiocyanato-
  • 1,3-Difluoro-5-isothiocyanatobenzene
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