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CAS 838-57-3

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Ethyl (4-nitrobenzoyl)acetate

Description:
Ethyl (4-nitrobenzoyl)acetate, with the CAS number 838-57-3, is an organic compound characterized by its ester functional group. It features a nitro group attached to a benzoyl moiety, which contributes to its chemical reactivity and properties. This compound typically appears as a pale yellow liquid with a sweet, fruity odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic nature. Ethyl (4-nitrobenzoyl)acetate is often used in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. Its structure allows for participation in nucleophilic substitution reactions, making it valuable in synthetic chemistry. Additionally, the presence of the nitro group can influence the compound's electronic properties, potentially affecting its reactivity and interactions with other chemical species. Safety precautions should be observed when handling this compound, as it may pose health risks if ingested or inhaled.
Formula:C11H11NO5
InChI:InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3
InChI key:InChIKey=NGRXSVFCLHVGKU-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)(=O)C1=CC=C(N(=O)=O)C=C1
Synonyms:
  • (4-Nitrobenzoyl)acetic acid ethyl ester
  • (p-Nitrobenzoyl)acetic acid ethyl ester
  • 3-(4-Nitrophenyl)-3-oxopropionic acid ethyl ester
  • 3-Oxo-3-(4-nitrophenyl)propionic acid ethyl ester
  • 4-Nitro-β-oxobenzenepropanoic acid ethyl ester
  • Acetic acid, (p-nitrobenzoyl)-, ethyl ester
  • Benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester
  • Benzenepropanoic acid, 4-nitro-β-oxo-, ethyl ester
  • Brn 1124763
  • Ethyl (4-nitrobenzoyl)acetate
  • See more synonyms
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