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CAS 929000-18-0

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Benzoic acid,4-bromo-2-chloro-, 1,1-dimethylethyl ester

Description:
Benzoic acid, 4-bromo-2-chloro-, 1,1-dimethylethyl ester, identified by the CAS number 929000-18-0, is an organic compound characterized by its ester functional group. This compound features a benzoic acid moiety substituted with both a bromo and a chloro group, which can influence its reactivity and physical properties. The presence of the tert-butyl (1,1-dimethylethyl) group enhances its lipophilicity, potentially affecting its solubility in organic solvents. Generally, esters like this one are known for their pleasant aromas and are often used in flavoring and fragrance applications. The halogen substituents can impart unique chemical properties, such as increased reactivity in nucleophilic substitution reactions. Additionally, the compound may exhibit specific biological activities, making it of interest in pharmaceutical and agrochemical research. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.
Formula:C11H12BrClO2
InChI:InChI=1S/C11H12BrClO2/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6H,1-3H3
InChI key:IHLZXPVSSFCZLU-UHFFFAOYSA-N
SMILES:CC(C)(C)OC(=O)C1=C(C=C(C=C1)Br)Cl
Synonyms:
  • t-Butyl 4-bromo-2-chlorobenzoate
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