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CAS 951884-50-7

:

1,1-Dimethylethyl 2-bromo-4-fluorobenzoate

Description:
1,1-Dimethylethyl 2-bromo-4-fluorobenzoate, with the CAS number 951884-50-7, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. The presence of the 1,1-dimethylethyl group (also known as tert-butyl) contributes to its steric bulk, influencing its reactivity and solubility. The compound features both bromine and fluorine substituents on the aromatic ring, which can significantly affect its electronic properties and reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Its unique combination of halogen atoms may also impart specific characteristics such as increased lipophilicity or altered boiling and melting points compared to related compounds. Additionally, the presence of these substituents can enhance its utility in medicinal chemistry and materials science, where such modifications are often employed to improve biological activity or material properties. Overall, this compound exemplifies the complexity and versatility of halogenated aromatic esters in organic synthesis and applications.
Formula:C11H12BrFO2
InChI:InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,1-3H3
InChI key:InChIKey=NCGLBILYMNWPMU-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=C(Br)C=C(F)C=C1
Synonyms:
  • 1,1-Dimethylethyl 2-bromo-4-fluorobenzoate
  • 2-Bromo-4-fluorobenzoic acid tert-butyl ester
  • 4-Bromo-2-fluoro-benzoic acid tert-butyl ester
  • Benzoic acid, 2-bromo-4-fluoro-, 1,1-dimethylethyl ester
  • Tert-Butyl 4-bromo-2-fluorobenzoate
  • tert-Butyl 2-bromo-4-fluorobenzoate
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