CAS 890098-47-2
:Ethyl 3-(4-iodobenzoyl)benzoate
Description:
Ethyl 3-(4-iodobenzoyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a benzoyl group substituted with an iodine atom at the para position, contributing to its unique chemical properties. The presence of the iodine atom enhances the compound's reactivity, particularly in electrophilic aromatic substitution reactions. Ethyl 3-(4-iodobenzoyl)benzoate is typically a solid at room temperature and may exhibit moderate solubility in organic solvents such as ethanol and dichloromethane, while being less soluble in water due to its hydrophobic aromatic structure. Its molecular structure allows for potential applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Additionally, the compound may exhibit interesting photophysical properties, making it a candidate for studies in materials science and photochemistry. Safety data should be consulted for handling and storage, as iodine-containing compounds can pose health risks.
Formula:C16H13IO3
InChI:InChI=1S/C16H13IO3/c1-2-20-16(19)13-5-3-4-12(10-13)15(18)11-6-8-14(17)9-7-11/h3-10H,2H2,1H3
InChI key:InChIKey=VQGUWISMOPWHSG-UHFFFAOYSA-N
SMILES:C(=O)(C1=CC(C(OCC)=O)=CC=C1)C2=CC=C(I)C=C2
Synonyms:- Ethyl 3-(4-iodobenzoyl)benzoate
- Benzoic acid, 3-(4-iodobenzoyl)-, ethyl ester
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