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CAS 24310-41-6

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3-(Chloromethyl)-1,2,3-benzotriazin-4(3H)-one

Description:
3-(Chloromethyl)-1,2,3-benzotriazin-4(3H)-one, with the CAS number 24310-41-6, is a chemical compound characterized by its benzotriazine core structure, which includes a chloromethyl group. This compound typically exhibits properties associated with heterocyclic compounds, including potential reactivity due to the presence of the chloromethyl group, which can participate in nucleophilic substitution reactions. The benzotriazine moiety contributes to its stability and may influence its solubility and interaction with other chemical species. It is often studied for its potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. The presence of the chloromethyl group can also impart unique biological activities, making it of interest in medicinal chemistry. As with many chemical substances, safety and handling precautions are essential, as it may pose hazards typical of chlorinated compounds, including toxicity and environmental concerns. Proper characterization through techniques such as NMR, IR spectroscopy, and mass spectrometry is crucial for understanding its properties and potential applications.
Formula:C8H6ClN3O
InChI:InChI=1S/C8H6ClN3O/c9-5-12-8(13)6-3-1-2-4-7(6)10-11-12/h1-4H,5H2
InChI key:InChIKey=DIBUQPIFKGWZDT-UHFFFAOYSA-N
SMILES:O=C1C=2C(N=NN1CCl)=CC=CC2
Synonyms:
  • 1,2,3-Benzotriazin-4(3H)-one, 3-(chloromethyl)-
  • 3-Chloromethyl-3H-benzo[d][1,2,3]triazin-4-one
  • 3-Chloromethyl-4-keto-1,2,3-benzotriazine
  • 3-(Chloromethyl)-1,2,3-benzotriazin-4(3H)-one
  • 3-(Chloromethyl)-1,2,3-benzotriazin-4(3H)-one
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