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CAS 944897-69-2

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2-(Chloromethyl)-6-(trifluoromethyl)benzoxazole

Description:
2-(Chloromethyl)-6-(trifluoromethyl)benzoxazole is an organic compound characterized by its unique structural features, which include a benzoxazole ring substituted with both a chloromethyl group and a trifluoromethyl group. The presence of the chloromethyl group introduces reactivity, making it a potential intermediate in various chemical syntheses. The trifluoromethyl group significantly influences the compound's electronic properties, enhancing its lipophilicity and potentially affecting its biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or materials science, particularly in the development of fluorinated compounds. Additionally, the presence of halogen atoms can impart unique characteristics such as increased stability and altered reactivity compared to non-fluorinated analogs. Safety precautions should be observed when handling this compound due to the presence of chlorine and fluorine, which can pose health and environmental risks.
Formula:C9H5ClF3NO
InChI:InChI=1S/C9H5ClF3NO/c10-4-8-14-6-2-1-5(9(11,12)13)3-7(6)15-8/h1-3H,4H2
InChI key:InChIKey=DJEXBVWLAPVPIG-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C=C2C(N=C(CCl)O2)=CC1
Synonyms:
  • 2-(Chloromethyl)-6-(trifluoromethyl)benzoxazole
  • Benzoxazole, 2-(chloromethyl)-6-(trifluoromethyl)-
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