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CAS 321309-30-2

:

6-Fluoro-8-isocyanato-4H-1,3-benzodioxin

Description:
6-Fluoro-8-isocyanato-4H-1,3-benzodioxin is a chemical compound characterized by its unique structure, which includes a benzodioxin core substituted with a fluorine atom and an isocyanate functional group. The presence of the isocyanate group indicates that this compound can participate in nucleophilic addition reactions, making it a potential intermediate in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. The fluorine atom can enhance the compound's biological activity and lipophilicity, influencing its interaction with biological targets. Additionally, the benzodioxin moiety contributes to the compound's stability and may affect its solubility and reactivity. As with many isocyanates, this compound may pose health risks, including respiratory irritation and sensitization, necessitating careful handling and appropriate safety measures in laboratory or industrial settings. Overall, 6-Fluoro-8-isocyanato-4H-1,3-benzodioxin is a compound of interest in synthetic organic chemistry, particularly for its potential applications in medicinal chemistry.
Formula:C9H6FNO3
InChI:InChI=1S/C9H6FNO3/c10-7-1-6-3-13-5-14-9(6)8(2-7)11-4-12/h1-2H,3,5H2
InChI key:InChIKey=MLPWRGALYUWZEV-UHFFFAOYSA-N
SMILES:N(=C=O)C1=C2C(=CC(F)=C1)COCO2
Synonyms:
  • 4H-1,3-Benzodioxin, 6-fluoro-8-isocyanato-
  • 6-Fluoro-4H-1,3-benzodioxen-8-yl-isocyanate
  • 6-Fluoro-8-isocyanato-4H-1,3-benzodioxin
  • 6-Fluoro-8-isocyanato-4H-benzo[1,3]dioxine
  • 6-fluoro-8-isocyanato-4H-1,3-benzodioxine
  • 6-Fluoro-4H-1,3-benzodioxin-8-yl isocyanate
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