CAS 890098-31-4
:Ethyl 4-(3-nitrobenzoyl)benzoate
Description:
Ethyl 4-(3-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 attached to a benzoyl moiety, contributing to its potential reactivity and applications in organic synthesis. The compound typically appears as a solid or viscous liquid, depending on the temperature, and is likely to be pale yellow to light brown in color. Its molecular structure includes two aromatic rings, which enhance its stability and influence its solubility in organic solvents. Ethyl 4-(3-nitrobenzoyl)benzoate may exhibit properties such as moderate to low solubility in water, but good solubility in organic solvents like ethanol and acetone. The presence of the nitro group can impart unique electronic properties, making it useful in various chemical reactions, including nucleophilic substitutions and as a potential intermediate in the synthesis of pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive to heat and shock.
Formula:C16H13NO5
InChI:InChI=1S/C16H13NO5/c1-2-22-16(19)12-8-6-11(7-9-12)15(18)13-4-3-5-14(10-13)17(20)21/h3-10H,2H2,1H3
InChI key:InChIKey=IUXAUUIRPSPUIT-UHFFFAOYSA-N
SMILES:C(=O)(C1=CC(N(=O)=O)=CC=C1)C2=CC=C(C(OCC)=O)C=C2
Synonyms:- Ethyl 4-(3-nitrobenzoyl)benzoate
- Benzoic acid, 4-(3-nitrobenzoyl)-, ethyl ester
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