CAS 10560-13-1

1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate

Description:

1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate, with the CAS number 10560-13-1, is an organic compound characterized by its structure, which includes two ethyl groups and a nitro group attached to a benzene ring that also contains two carboxylate functional groups. This compound typically appears as a yellow to orange crystalline solid and is soluble in organic solvents. The presence of the nitro group contributes to its potential reactivity and may influence its electronic properties, making it useful in various chemical syntheses. The carboxylate groups can participate in hydrogen bonding and may affect the compound's solubility and reactivity in different environments. Additionally, the diethyl substitution can enhance the lipophilicity of the molecule, which may be relevant in biological applications or in the development of pharmaceuticals. As with many nitro compounds, it is important to handle this substance with care due to potential toxicity and environmental concerns.

Formula: C₁₂H₁₃NO₆

InChI: InChI=1S/C12H13NO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7H,3-4H2,1-2H3

InChI key: InChIKey=PYBFOSCCWZPUSC-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(C(OCC)=O)=CC(N(=O)=O)=C1

Synonyms:

• 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-diethyl ester
• 1,3-Benzenedicarboxylic acid, 5-nitro-, diethyl ester
• 1,3-Diethyl 5-nitro-1,3-benzenedicarboxylate
• Diethyl 4-Nitrobenzene-1,2-Dicarboxylate
• Diethyl 5-Nitrobenzene-1,3-Dicarboxylate
• Isophthalic acid, 5-nitro-, diethyl ester