CAS 760192-94-7
:Ethyl 3-(4-nitrobenzoyl)benzoate
Description:
Ethyl 3-(4-nitrobenzoyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. It features a nitro group (-NO2) attached to a benzoyl moiety, contributing to its chemical reactivity and potential applications in various fields, including pharmaceuticals and materials science. The presence of the nitro group enhances its electrophilic properties, making it useful in synthetic organic chemistry. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents. Its molecular structure includes a central benzoate unit with ethyl and nitrobenzoyl substituents, which can influence its physical and chemical properties, such as melting point, boiling point, and reactivity. Ethyl 3-(4-nitrobenzoyl)benzoate may also exhibit biological activity, making it of interest for further research in medicinal chemistry. Safety data should be consulted for handling and storage, as compounds with nitro groups can pose specific hazards.
Formula:C16H13NO5
InChI:InChI=1S/C16H13NO5/c1-2-22-16(19)13-5-3-4-12(10-13)15(18)11-6-8-14(9-7-11)17(20)21/h3-10H,2H2,1H3
InChI key:InChIKey=QVMUGSVFXYKCDJ-UHFFFAOYSA-N
SMILES:C(=O)(C1=CC(C(OCC)=O)=CC=C1)C2=CC=C(N(=O)=O)C=C2
Synonyms:- Benzoic acid, 3-(4-nitrobenzoyl)-, ethyl ester
- Ethyl 3-(4-nitrobenzoyl)benzoate
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