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CAS 773874-03-6

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Methyl 3-chloro-2-fluoro-5-(trifluoromethyl)benzoate

Description:
Methyl 3-chloro-2-fluoro-5-(trifluoromethyl)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety. The presence of chlorine and fluorine substituents on the benzene ring contributes to its unique chemical properties, including increased lipophilicity and potential reactivity in electrophilic aromatic substitution reactions. The trifluoromethyl group is known for enhancing the compound's stability and influencing its biological activity. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to serve as an intermediate in various chemical reactions. Its molecular structure suggests that it may exhibit interesting physical properties, such as a relatively high boiling point and low solubility in water, while being soluble in organic solvents. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, Methyl 3-chloro-2-fluoro-5-(trifluoromethyl)benzoate is a valuable compound in chemical research and applications.
Formula:C9H5ClF4O2
InChI:InChI=1S/C9H5ClF4O2/c1-16-8(15)5-2-4(9(12,13)14)3-6(10)7(5)11/h2-3H,1H3
InChI key:InChIKey=KOIVXIXXADSRRZ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C(F)(F)F)=CC(Cl)=C1F
Synonyms:
  • Benzoic acid, 3-chloro-2-fluoro-5-(trifluoromethyl)-, methyl ester
  • Methyl 3-chloro-2-fluoro-5-(trifluoromethyl)benzoate
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