CAS 59247-48-2
:Isopropyl 4-bromobenzoate
Description:
Isopropyl 4-bromobenzoate, with the CAS number 59247-48-2, is an organic compound that belongs to the class of esters. It is characterized by the presence of a bromine atom attached to the para position of a benzoate group, which is further esterified with isopropanol. This compound typically appears as a colorless to pale yellow liquid and has a pleasant, aromatic odor. It is moderately soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic nature. Isopropyl 4-bromobenzoate is often used in organic synthesis as an intermediate for the preparation of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the bromine substituent, which can participate in nucleophilic substitution reactions. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. Proper handling and storage are essential, as with many organic compounds, to ensure safety and stability.
Formula:C10H11BrO2
InChI:InChI=1S/C10H11BrO2/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChI key:InChIKey=RTXXREYZBOONJV-UHFFFAOYSA-N
SMILES:C(OC(C)C)(=O)C1=CC=C(Br)C=C1
Synonyms:- Benzoic acid, 4-bromo-, 1-methylethyl ester
- Isopropyl 4-bromobenzoate
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