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ONTOLOGY REPORT - ANNOTATIONS


Term:2,6-dinitrotoluene
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Accession:CHEBI:957 term browser browse the term
Definition:A dinitrotoluene carrying nitro substituents at positions 2 and 6.
Synonyms:exact_synonym: 2-methyl-1,3-dinitrobenzene
 related_synonym: 1-methyl-2,6-dinitrobenzene;   2,6-DNT;   2,6-dinitromethylbenzene;   Formula=C7H6N2O4;   InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3;   InChIKey=XTRDKALNCIHHNI-UHFFFAOYSA-N;   SMILES=Cc1c(cccc1[N+]([O-])=O)[N+]([O-])=O
 xref: Beilstein:2052046 "ChemIDplus";   CAS:606-20-2 "ChemIDplus";   CAS:606-20-2 "KEGG COMPOUND";   CAS:606-20-2 "NIST Chemistry WebBook";   KEGG:C11008
 xref_mesh: MESH:C023514
 xref: MetaCyc:CPD-9133;   PMID:22155124 "Europe PMC";   Reaxys:2052046 "Reaxys"


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  CHEBI ontology 19669
    role 19613
      biological role 19611
        aetiopathogenetic role 18766
          genotoxin 16034
            2,6-dinitrotoluene 2201
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  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic molecule 19343
                              organic cyclic compound 19093
                                carbocyclic compound 17510
                                  benzenoid aromatic compound 17032
                                    benzenes 16747
                                      toluenes 6104
                                        nitrotoluene 3882
                                          dinitrotoluene 3580
                                            2,6-dinitrotoluene 2201
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