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CAS 115591-65-6

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Methyl 4-chloro-2-(trifluoromethyl)benzoate

Description:
Methyl 4-chloro-2-(trifluoromethyl)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety with a methyl ester functional group. The presence of a chlorine atom and a trifluoromethyl group on the aromatic ring significantly influences its chemical properties, including its reactivity and polarity. This compound is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to participate in various chemical reactions, such as nucleophilic substitutions and coupling reactions. The trifluoromethyl group enhances its lipophilicity and metabolic stability, making it a valuable building block in medicinal chemistry. Additionally, safety considerations should be taken into account, as halogenated compounds can exhibit toxicity and environmental persistence. Proper handling and disposal methods are essential when working with this substance in a laboratory setting.
Formula:C9H6ClF3O2
InChI:InChI=1S/C9H6ClF3O2/c1-15-8(14)6-3-2-5(10)4-7(6)9(11,12)13/h2-4H,1H3
InChI key:InChIKey=NHOXZNZUKPMTMA-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C(F)(F)F)C=C(Cl)C=C1
Synonyms:
  • Methyl 4-chloro-2-(trifluoromethyl)benzoate
  • Benzoic acid, 4-chloro-2-(trifluoromethyl)-, methyl ester
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