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CAS 503555-23-5

:

tert-butyl 5-bromo-2-chlorobenzoate

Description:
Tert-butyl 5-bromo-2-chlorobenzoate is an organic compound characterized by its ester functional group, derived from benzoic acid. It features a tert-butyl group, which enhances its lipophilicity and steric bulk, making it less reactive than simpler esters. The presence of both bromine and chlorine substituents on the aromatic ring contributes to its unique reactivity and potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests that it may participate in nucleophilic substitution reactions, especially due to the electron-withdrawing effects of the halogen substituents. Additionally, the compound's stability and reactivity can be influenced by the steric hindrance provided by the tert-butyl group. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, tert-butyl 5-bromo-2-chlorobenzoate serves as a valuable intermediate in various chemical syntheses.
Formula:C11H12BrClO2
InChI:InChI=1/C11H12BrClO2/c1-11(2,3)15-10(14)8-6-7(12)4-5-9(8)13/h4-6H,1-3H3
SMILES:CC(C)(C)OC(=O)c1cc(ccc1Cl)Br
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