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CAS 126147-86-2

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2,1,3-Benzoxadiazole-5-carbonyl chloride

Description:
2,1,3-Benzoxadiazole-5-carbonyl chloride is a chemical compound characterized by its unique bicyclic structure, which incorporates a benzene ring fused to a 1,3-benzodiazole moiety. This compound features a carbonyl chloride functional group, making it a reactive acyl chloride. It is typically used in organic synthesis, particularly in the preparation of various derivatives and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of the carbonyl chloride group allows for nucleophilic substitution reactions, facilitating the introduction of various functional groups. Additionally, the benzoxadiazole framework contributes to its potential applications in materials science, particularly in the development of fluorescent dyes and sensors due to its electronic properties. The compound is generally handled with care due to its reactivity and potential hazards associated with the carbonyl chloride moiety, which can release hydrochloric acid upon hydrolysis. Proper safety measures should be observed when working with this substance in laboratory settings.
Formula:C7H3ClN2O2
InChI:InChI=1S/C7H3ClN2O2/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H
InChI key:InChIKey=ODCMBRSQNVPDOK-UHFFFAOYSA-N
SMILES:C(Cl)(=O)C1=CC=2C(C=C1)=NON2
Synonyms:
  • Benzo[1,2,5]oxadiazole-5-carbonyl chloride
  • 2,1,3-Benzoxadiazole-5-carbonyl chloride
  • 5-Benzofurazancarbonyl chloride
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