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CAS 14034-08-3

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Methyl 3-bromo-4-(1,1-dimethylethyl)benzoate

Description:
Methyl 3-bromo-4-(1,1-dimethylethyl)benzoate, with the CAS number 14034-08-3, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a bromine atom at the 3-position and a tert-butyl group at the 4-position of the aromatic ring, contributing to its unique chemical properties. The presence of the bromine atom introduces a halogen, which can enhance reactivity in nucleophilic substitution reactions. The tert-butyl group, being bulky, can influence steric hindrance and affect the compound's reactivity and solubility. Methyl 3-bromo-4-(1,1-dimethylethyl)benzoate is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is used in various chemical syntheses and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. As with many organic compounds, proper handling and safety precautions are essential due to potential toxicity and environmental impact.
Formula:C12H15BrO2
InChI:InChI=1/C12H15BrO2/c1-12(2,3)9-6-5-8(7-10(9)13)11(14)15-4/h5-7H,1-4H3
InChI key:InChIKey=KXCQBZYCOHEWHO-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(Br)=C(C(C)(C)C)C=C1
Synonyms:
  • Benzoic Acid, 3-Bromo-4-(1,1-Dimethylethyl)-, Methyl Ester
  • Benzoic acid, 3-bromo-4-tert-butyl-, methyl ester
  • Methyl 3-bromo-4-(1,1-dimethylethyl)benzoate
  • Methyl 3-bromo-4-tert-butylbenzoate
  • methyl 3-bromo-4-t-butylbenzoate
  • 3-Bromo-4-tert-butyl-benzoic acid methyl ester
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