CHEBI:142287 - 2,3-dinitrotoluene

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ChEBI Name 2,3-dinitrotoluene ChEBI ID CHEBI:142287 Definition A dinitrotoluene that is toluene in which the hydrogens at positions 2 and 3 have been replaced by nitro groups. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H6N2O4 Net Charge 0 Average Mass 182.134 Monoisotopic Mass 182.03276 InChI InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3 InChIKey DYSXLQBUUOPLBB-UHFFFAOYSA-N SMILES C1=CC=C(C(=C1C)[N+]([O-])=O)[N+]([O-])=O Roles Classification Chemical Role(s): explosive A substance capable of undergoing rapid and highly exothermic decomposition. View more via ChEBI Ontology ChEBI Ontology Outgoing 2,3-dinitrotoluene (CHEBI:142287) has role explosive (CHEBI:63490) 2,3-dinitrotoluene (CHEBI:142287) is a dinitrotoluene (CHEBI:23822) IUPAC Name 1-methyl-2,3-dinitrobenzene Synonyms Sources 2,3-dinitrotoluene UniProt 2,3-DNT ChemIDplus Manual Xref Database CPD-18108 MetaCyc View more database links Registry Numbers Types Sources 2212428 Reaxys Registry Number Reaxys 602-01-7 CAS Registry Number NIST Chemistry WebBook 602-01-7 CAS Registry Number ChemIDplus Citations Types Sources 11823201 PubMed citation SUBMITTER 15568688 PubMed citation Europe PMC 15856226 PubMed citation Europe PMC 16028295 PubMed citation Europe PMC 22422434 PubMed citation Europe PMC 2645131 PubMed citation Europe PMC 3803339 PubMed citation Europe PMC 553809 PubMed citation Europe PMC Last Modified 21 September 2018