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CHEBI:77316 - 2,4,6-trinitroxylene

ChEBI IDCHEBI:77316
ChEBI Name2,4,6-trinitroxylene
Stars
DefinitionA C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6.
Last Modified13 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC8H7N3O6
Net Charge0
Average Mass241.159
Monoisotopic Mass241.03348
SMILESCc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H7N3O6/c1-4-6(9(12)13)3-7(10(14)15)5(2)8(4)11(16)17/h3H,1-2H3
InChIKeyGGGVOOMKPJYWDF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
explosive  A substance capable of undergoing rapid and highly exothermic decomposition.
ChEBI Ontology
Outgoing Relation(s)
2,4,6-trinitroxylene (CHEBI:77316) has functional parent m-xylene (CHEBI:28488)
2,4,6-trinitroxylene (CHEBI:77316) has functional parent 1,3,5-trinitrobenzene (CHEBI:48113)
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-xyleneChemIDplus
Registry NumbersSources
CAS:632-92-8ChemIDplus
CAS:632-92-8NIST Chemistry WebBook