Cas no 13711-25-6 (1,2-Dichloro-5-methyl-3-nitrobenzene)

1,2-Dichloro-5-methyl-3-nitrobenzene is a chlorinated nitroaromatic compound with the molecular formula C?H?Cl?NO?. It serves as a versatile intermediate in organic synthesis, particularly in the production of agrochemicals, pharmaceuticals, and specialty chemicals. The presence of both chloro and nitro substituents on the aromatic ring enhances its reactivity, making it valuable for nucleophilic substitution and reduction reactions. Its structural features allow for selective functionalization, enabling the synthesis of complex derivatives. The compound exhibits stability under standard storage conditions, ensuring consistent performance in industrial applications. Its well-defined chemical properties and high purity make it a reliable reagent for research and manufacturing processes requiring precise aromatic modifications.
1,2-Dichloro-5-methyl-3-nitrobenzene structure
13711-25-6 structure
Product Name:1,2-Dichloro-5-methyl-3-nitrobenzene
CAS No:13711-25-6
MF:C7H5Cl2NO2
MW:206.026099920273
CID:2657726
PubChem ID:19608760
Update Time:2025-06-09

1,2-Dichloro-5-methyl-3-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-dichloro-5-methyl-3-nitrobenzene
    • DTXSID60599041
    • SCHEMBL8311171
    • AKOS025132022
    • 13711-25-6
    • Benzene, 1,2-dichloro-5-methyl-3-nitro-
    • 1,2-Dichloro-5-methyl-3-nitrobenzene
    • Inchi： 1S/C7H5Cl2NO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3
    • InChI Key： HMWPBYDTIKHTEK-UHFFFAOYSA-N
    • SMILES： ClC1C(=CC(C)=CC=1[N+](=O)[O-])Cl

Computed Properties

  • Exact Mass: 204.9697338Da
  • Monoisotopic Mass: 204.9697338Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 183
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 45.8?2

1,2-Dichloro-5-methyl-3-nitrobenzene Pricemore >>

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