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CAS 773874-13-8

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Methyl 5-bromo-2-(trifluoromethoxy)benzoate

Description:
Methyl 5-bromo-2-(trifluoromethoxy)benzoate is an organic compound characterized by its aromatic structure, which includes a bromine atom and a trifluoromethoxy group attached to a benzoate moiety. The presence of the bromine atom introduces a halogen, which can influence the compound's reactivity and polarity. The trifluoromethoxy group, consisting of a methoxy group (–OCH3) with three fluorine atoms, enhances the compound's electronegativity and can significantly affect its solubility and interaction with other molecules. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its unique electronic properties and potential for further functionalization. Its molecular structure allows for various reactions, including nucleophilic substitutions and coupling reactions. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, Methyl 5-bromo-2-(trifluoromethoxy)benzoate is a versatile intermediate in chemical synthesis with distinct physical and chemical properties.
Formula:C9H6BrF3O3
InChI:InChI=1S/C9H6BrF3O3/c1-15-8(14)6-4-5(10)2-3-7(6)16-9(11,12)13/h2-4H,1H3
InChI key:InChIKey=RLAXIDPRPKZATK-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=C(C(OC)=O)C=C(Br)C=C1
Synonyms:
  • 5-Bromo-2-trifluoromethoxybenzoic acid methyl ester
  • Methyl 5-bromo-2-(trifluoromethoxy)benzoate
  • Benzoic acid, 5-bromo-2-(trifluoromethoxy)-, methyl ester
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