Cas no 56207-39-7 (Benzenamine,2-methyl-3,6-dinitro-)

Benzenamine,2-methyl-3,6-dinitro- structure
56207-39-7 structure
Product Name:Benzenamine,2-methyl-3,6-dinitro-
CAS No:56207-39-7
MF:C7H7N3O4
MW:197.148181200027
CID:375151
PubChem ID:41780
Update Time:2025-04-19

Benzenamine,2-methyl-3,6-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,2-methyl-3,6-dinitro-
    • 2-methyl-3,6-dinitroaniline
    • 3,6-dinitro-o-toluidine
    • 2-Amino-3,6-dinitrotoluene
    • Benzenamine, 3,6-dinitro-2-methyl- (9CI)
    • BRN 2978676
    • o-Toluidine, 3,6-dinitro-
    • DTXSID60204744
    • EINECS 260-053-2
    • AKOS006279567
    • Benzenamine, 2-methyl-3,6-dinitro-
    • 56207-39-7
    • NS00033482
    • Benzenamine, 3,6-dinitro-2-methyl-
    • Inchi: 1S/C7H7N3O4/c1-4-5(9(11)12)2-3-6(7(4)8)10(13)14/h2-3H,8H2,1H3
    • InChI Key: VVZWLLMSXCXIRJ-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=C(C(=C1C)N)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 197.04371
  • Monoisotopic Mass: 197.043656
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 246
  • 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
  • Topological Polar Surface Area: 118
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.497
  • Boiling Point: 400.8°C at 760 mmHg
  • Flash Point: 196.2°C
  • Refractive Index: 1.656
  • PSA: 112.3
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