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CAS 1018473-24-9

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Ethyl 3-bromo-5-(trifluoromethyl)benzoate

Description:
Ethyl 3-bromo-5-(trifluoromethyl)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety. The presence of a bromine atom at the 3-position and a trifluoromethyl group at the 5-position of the benzene ring significantly influences its chemical properties, including reactivity and polarity. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is soluble in organic solvents such as dichloromethane and ethyl acetate but has limited solubility in water due to its hydrophobic aromatic structure. Ethyl 3-bromo-5-(trifluoromethyl)benzoate is often used in synthetic organic chemistry as an intermediate for the preparation of various pharmaceuticals and agrochemicals. Its unique functional groups make it a valuable building block for further chemical transformations, including nucleophilic substitutions and coupling reactions. Safety precautions should be observed when handling this compound, as it may pose health risks due to its bromine and trifluoromethyl substituents.
Formula:C10H8BrF3O2
InChI:InChI=1S/C10H8BrF3O2/c1-2-16-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,2H2,1H3
InChI key:InChIKey=PWFLIKVCIABLJY-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(C(F)(F)F)=CC(Br)=C1
Synonyms:
  • Benzoic acid, 3-bromo-5-(trifluoromethyl)-, ethyl ester
  • 3-Bromo-5-trifluoromethylbenzoic acid ethyl ester
  • Ethyl 3-bromo-5-(trifluoromethyl)benzoate
  • 3-Bromo-5-trifluoromethyl-benzoic acid ethyl ester
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