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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 19679
    role 19623
      biological role 19621
        aetiopathogenetic role 18776
          genotoxin 16051
            2,6-dinitrotoluene 2202
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  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    p-block element atom 19555
                      carbon group element atom 19438
                        carbon atom 19430
                          organic molecular entity 19430
                            organic molecule 19353
                              organic cyclic compound 19102
                                carbocyclic compound 17516
                                  benzenoid aromatic compound 17038
                                    benzenes 16752
                                      toluenes 6110
                                        nitrotoluene 3882
                                          dinitrotoluene 3581
                                            2,6-dinitrotoluene 2202
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