CHEBI:77316 - 2,4,6-trinitroxylene

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ChEBI Name 2,4,6-trinitroxylene ChEBI ID CHEBI:77316 Definition A C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6. Stars This entity has been manually annotated by the ChEBI Team. 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 C8H7N3O6 Net Charge 0 Average Mass 241.15770 Monoisotopic Mass 241.03348 InChI InChI=1S/C8H7N3O6/c1-4-6(9(12)13)3-7(10(14)15)5(2)8(4)11(16)17/h3H,1-2H3 InChIKey GGGVOOMKPJYWDF-UHFFFAOYSA-N SMILES Cc1c(cc(c(C)c1[N+]([O-])=O)[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 2,4,6-trinitroxylene (CHEBI:77316) has functional parent 1,3,5-trinitrobenzene (CHEBI:48113) 2,4,6-trinitroxylene (CHEBI:77316) has functional parent m-xylene (CHEBI:28488) 2,4,6-trinitroxylene (CHEBI:77316) has role explosive (CHEBI:63490) 2,4,6-trinitroxylene (CHEBI:77316) is a C-nitro compound (CHEBI:35716) IUPAC Name 2,4-dimethyl-1,3,5-trinitrobenzene Synonym Source 2,4,6-Trinitro-m-xylene ChemIDplus Registry Numbers Types Sources 632-92-8 CAS Registry Number ChemIDplus 632-92-8 CAS Registry Number NIST Chemistry WebBook Last Modified 13 February 2014