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CAS 773874-04-7

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Methyl 3-chloro-4-(trifluoromethoxy)benzoate

Description:
Methyl 3-chloro-4-(trifluoromethoxy)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety. The presence of a chlorine atom and a trifluoromethoxy group contributes to its unique chemical properties. This compound typically exhibits moderate to high lipophilicity due to the fluorinated substituents, which can influence its solubility and reactivity. The trifluoromethoxy group is known for enhancing the stability and bioactivity of compounds, making them of interest in pharmaceutical applications. Additionally, the chlorine substituent can affect the electronic properties of the aromatic ring, potentially influencing its reactivity in electrophilic aromatic substitution reactions. Methyl 3-chloro-4-(trifluoromethoxy)benzoate may also exhibit specific interactions with biological targets, which could be relevant in drug design and development. Safety data should be consulted for handling and usage, as halogenated compounds can pose environmental and health risks. Overall, this compound represents a versatile building block in organic synthesis and medicinal chemistry.
Formula:C9H6ClF3O3
InChI:InChI=1S/C9H6ClF3O3/c1-15-8(14)5-2-3-7(6(10)4-5)16-9(11,12)13/h2-4H,1H3
InChI key:InChIKey=UXOMTZKOKUQMPT-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=C(Cl)C=C(C(OC)=O)C=C1
Synonyms:
  • Methyl 3-chloro-4-(trifluoromethoxy)benzoate
  • Benzoic acid, 3-chloro-4-(trifluoromethoxy)-, methyl ester
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