Cas no 1261835-42-0 (Benzeneacetic acid, 3-amino-4-nitro-, ethyl ester)

Benzeneacetic acid, 3-amino-4-nitro-, ethyl ester is a nitro-substituted aromatic compound with potential applications in organic synthesis and pharmaceutical intermediates. Its structure features both an amino and a nitro group on the benzene ring, enabling versatile reactivity in electrophilic and nucleophilic transformations. The ethyl ester moiety enhances solubility in organic solvents, facilitating further derivatization. This compound may serve as a precursor for the synthesis of more complex molecules, particularly in medicinal chemistry, where nitro- and amino-functionalized aromatics are valuable building blocks. Proper handling is advised due to the presence of reactive functional groups. Storage should be under inert conditions to maintain stability.
Benzeneacetic acid, 3-amino-4-nitro-, ethyl ester structure
1261835-42-0 structure
Product Name:Benzeneacetic acid, 3-amino-4-nitro-, ethyl ester
CAS No:1261835-42-0
MF:C10H12N2O4
MW:224.213282585144
CID:6506723
Update Time:2025-06-09

Benzeneacetic acid, 3-amino-4-nitro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, 3-amino-4-nitro-, ethyl ester
    • Inchi: 1S/C10H12N2O4/c1-2-16-10(13)6-7-3-4-9(12(14)15)8(11)5-7/h3-5H,2,6,11H2,1H3
    • InChI Key: GPGXTOSZNPRIGJ-UHFFFAOYSA-N
    • SMILES: C1(CC(OCC)=O)=CC=C([N+]([O-])=O)C(N)=C1

Experimental Properties

  • Density: 1.297±0.06 g/cm3(Predicted)
  • Boiling Point: 388.6±27.0 °C(Predicted)
  • pka: -0.44±0.25(Predicted)

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