Substance
  • Substance Name: 3,4-dinitrotoluene
  • Formula: C7H6N2O4
  • Molecular Weight: 182.13 g/mol
  • Identifiers:
    • casrn: 610-39-9
    • pubchemId: 11883
    • iupacname: 4-methyl-1,2-dinitrobenzene
    • inchi: InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3
    • inchikey: INYDMNPNDHRJQJ-UHFFFAOYSA-N
    • csmiles: CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
    • ismiles: CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
    • wikidataId: Q1992140
    • chemspiderId: 11390
    • dsstoxcmpId: DTXCID307240
    • chemblId: CHEMBL1489568
    • ecnumber: 210-222-1
3,4-dinitrotoluene
Systems and Datasets