Cas no 616-69-3 (1,2-Dimethyl-3,5-dinitrobenzene)

1,2-Dimethyl-3,5-dinitrobenzene is a nitroaromatic compound characterized by its two nitro groups and two methyl substituents on a benzene ring. This structure imparts stability and reactivity, making it useful as an intermediate in organic synthesis, particularly for the preparation of dyes, pharmaceuticals, and specialty chemicals. The electron-withdrawing nitro groups enhance its suitability for electrophilic substitution reactions, while the methyl groups influence steric and electronic effects. The compound exhibits moderate solubility in organic solvents and requires careful handling due to its potential explosive properties under extreme conditions. Its well-defined molecular structure ensures consistency in synthetic applications, supporting precise chemical transformations.
1,2-Dimethyl-3,5-dinitrobenzene structure
616-69-3 structure
Product Name:1,2-Dimethyl-3,5-dinitrobenzene
CAS No:616-69-3
MF:C8H8N2O4
MW:196.160121917725
CID:516127
Update Time:2026-04-29

1,2-Dimethyl-3,5-dinitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-Dimethyl-3,5-dinitrobenzene
    • 3-NIRO-O-XYLENE
    • Benzene, 1,2- dimethyl-3,5-dinitro-
    • 1,2-Dimethyl-3,5-dinitro-benzene
    • Inchi: InChI=1S/C8H8N2O4/c1-5-3-7(9(11)12)4-8(6(5)2)10(13)14/h3-4H,1-2H3
    • InChI Key: FHCBGLKAGXVKHS-UHFFFAOYSA-N
    • SMILES: CC1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 196.04844
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 86.28

1,2-Dimethyl-3,5-dinitrobenzene Pricemore >>

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