Cas no 179246-10-7 (Benzamide, 4,5-dimethyl-2-nitro-)

Benzamide, 4,5-dimethyl-2-nitro- is a nitro-substituted benzamide derivative characterized by its distinct molecular structure featuring dimethyl and nitro functional groups at the 4,5- and 2-positions, respectively. This compound exhibits notable stability under standard conditions, making it suitable for various synthetic applications. Its electron-withdrawing nitro group enhances reactivity in nucleophilic substitution reactions, while the dimethyl substitution pattern contributes to steric effects that can influence regioselectivity in further chemical modifications. The compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its well-defined crystalline properties facilitate purification and characterization, ensuring high purity for research and industrial use. The structural features of this benzamide derivative also make it a candidate for studies in molecular recognition and supramolecular chemistry.
Benzamide, 4,5-dimethyl-2-nitro- structure
179246-10-7 structure
Product Name:Benzamide, 4,5-dimethyl-2-nitro-
CAS No:179246-10-7
MF:C9H10N2O3
MW:194.187302112579
CID:1366012
Update Time:2025-07-02

Benzamide, 4,5-dimethyl-2-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzamide, 4,5-dimethyl-2-nitro-
    • 4,5-dimethyl-2-nitrobenzamide
    • Inchi: 1S/C9H10N2O3/c1-5-3-7(9(10)12)8(11(13)14)4-6(5)2/h3-4H,1-2H3,(H2,10,12)
    • InChI Key: PYUKVIMZGYMMLF-UHFFFAOYSA-N
    • SMILES: C(N)(=O)C1=CC(C)=C(C)C=C1[N+]([O-])=O

Computed Properties

  • Exact Mass: 194.0692

Experimental Properties

  • Density: 1.273±0.06 g/cm3(Predicted)
  • Boiling Point: 302.9±42.0 °C(Predicted)
  • PSA: 86.23
  • pka: 15.42±0.50(Predicted)

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