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CAS 1150114-81-0

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Benzoic acid, 2-bromo-5-(trifluoromethoxy)-, methyl ester

Description:
Benzoic acid, 2-bromo-5-(trifluoromethoxy)-, methyl ester, identified by the CAS number 1150114-81-0, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety modified by a bromine atom and a trifluoromethoxy group. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents, reflecting its hydrophobic characteristics due to the presence of the trifluoromethoxy group. The bromine substituent can influence its reactivity, making it a potential candidate for various chemical reactions, including electrophilic aromatic substitution. The trifluoromethoxy group enhances the compound's lipophilicity and may impart unique biological properties, making it of interest in pharmaceutical and agrochemical research. Additionally, the methyl ester functionality suggests that it can undergo hydrolysis to yield benzoic acid, which is a common preservative and intermediate in organic synthesis. Overall, this compound's unique structural features contribute to its potential applications in various fields, including medicinal chemistry and materials science.
Formula:C9H6BrF3O3
InChI:InChI=1S/C9H6BrF3O3/c1-15-8(14)6-4-5(2-3-7(6)10)16-9(11,12)13/h2-4H,1H3
InChI key:InChIKey=IETHWZNVMZUZKC-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=CC(C(OC)=O)=C(Br)C=C1
Synonyms:
  • Methyl 2-bromo-5-(trifluoromethoxy)benzoate
  • Benzoic acid, 2-bromo-5-(trifluoromethoxy)-, methyl ester
  • Methyl2-bromo-5-(trifluoromethoxy)benzoate
  • Methyl 2-bromo-5-(trifluoromethoxy)benzoate 95%
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