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CAS 784-98-5

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Ethyl 2-nitro-α-oxobenzenepropanoate

Description:
Ethyl 2-nitro-α-oxobenzenepropanoate, with the CAS number 784-98-5, is an organic compound that belongs to the class of nitro-substituted esters. It typically appears as a yellow to brownish liquid or solid, depending on its purity and specific conditions. The compound features a nitro group (-NO2) attached to a benzene ring, which contributes to its reactivity and potential applications in organic synthesis. Ethyl 2-nitro-α-oxobenzenepropanoate is known for its role as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It exhibits moderate solubility in organic solvents, while its solubility in water is limited. The presence of the nitro group can influence its electronic properties, making it a useful building block in the development of more complex molecules. Safety precautions should be taken when handling this compound, as nitro compounds can be sensitive to heat and shock, and may pose health risks if inhaled or ingested. Proper storage and disposal methods are essential to mitigate any environmental impact.
Formula:C11H11NO5
InChI:InChI=1S/C11H11NO5/c1-2-17-11(14)10(13)7-8-5-3-4-6-9(8)12(15)16/h3-6H,2,7H2,1H3
InChI key:InChIKey=AKWXORMMOJRIBI-UHFFFAOYSA-N
SMILES:C(C(C(OCC)=O)=O)C1=C(N(=O)=O)C=CC=C1
Synonyms:
  • NSC 157844
  • Pyruvic acid, (o-nitrophenyl)-, ethyl ester
  • Ethyl 2-nitro-α-oxobenzenepropanoate
  • Benzenepropanoic acid, 2-nitro-α-oxo-, ethyl ester
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