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CAS 114997-92-1

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5-Benzoxazolecarbonitrile, 2-chloro-

Description:
5-Benzoxazolecarbonitrile, 2-chloro- is an organic compound characterized by its benzoxazole ring structure, which is a fused bicyclic system containing both benzene and oxazole moieties. The presence of a cyano group (-C≡N) at the 5-position and a chlorine atom at the 2-position contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and materials science. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests that it may participate in nucleophilic substitution reactions due to the electrophilic nature of the chlorine atom. Additionally, the cyano group can serve as a versatile functional group for further chemical modifications. The compound's unique properties make it of interest for research in drug development and as a building block in organic synthesis. Safety data should be consulted for handling, as halogenated compounds can pose health risks.
Formula:C8H3ClN2O
InChI:InChI=1S/C8H3ClN2O/c9-8-11-6-3-5(4-10)1-2-7(6)12-8/h1-3H
InChI key:InChIKey=YXXCZHJSELQADZ-UHFFFAOYSA-N
SMILES:ClC=1OC=2C(=CC(C#N)=CC2)N1
Synonyms:
  • 2-Chloro-1,3-benzoxazole-5-carbonitrile
  • 2-Chlorobenzoxazole-5-carbonitrile
  • 5-Benzoxazolecarbonitrile, 2-chloro-
  • 2-Chloro-5-benzoxazolecarbonitrile
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