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CAS 773873-99-7

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methyl 3-chloro-2-fluoro-6-(trifluoromethyl)benzoate

Description:
Methyl 3-chloro-2-fluoro-6-(trifluoromethyl)benzoate is an organic compound characterized by its complex structure, which includes a benzoate moiety substituted with various halogen atoms and a methyl ester group. The presence of chlorine and fluorine atoms contributes to its unique chemical properties, such as increased lipophilicity and potential reactivity in electrophilic substitution reactions. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is often used in synthetic organic chemistry as an intermediate for the production of pharmaceuticals, agrochemicals, and other fluorinated compounds. The trifluoromethyl group enhances its biological activity and stability, making it of interest in medicinal chemistry. Additionally, the compound's molecular structure suggests it may exhibit interesting physical properties, such as a relatively high boiling point and low volatility, which can influence its behavior in various chemical processes. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks.
Formula:C9H5ClF4O2
InChI:InChI=1/C9H5ClF4O2/c1-16-8(15)6-4(9(12,13)14)2-3-5(10)7(6)11/h2-3H,1H3
SMILES:COC(=O)c1c(ccc(c1F)Cl)C(F)(F)F
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