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CHEBI:53063 - 2,4,6-trinitrobenzenesulfonic acid

ChEBI IDCHEBI:53063
ChEBI Name2,4,6-trinitrobenzenesulfonic acid
Stars
DefinitionThe arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.
Last Modified14 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC6H3N3O9S
Net Charge0
Average Mass293.169
Monoisotopic Mass292.95900
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C6H3N3O9S/c10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h1-2H,(H,16,17,18)
InChIKeyNHJVRSWLHSJWIN-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
explosive  A substance capable of undergoing rapid and highly exothermic decomposition.
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
Application:
reagent  A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
ChEBI Ontology
Outgoing Relation(s)
2,4,6-trinitrobenzenesulfonic acid (CHEBI:53063) has role epitope (CHEBI:53000)
2,4,6-trinitrobenzenesulfonic acid (CHEBI:53063) has role explosive (CHEBI:63490)
2,4,6-trinitrobenzenesulfonic acid (CHEBI:53063) has role reagent (CHEBI:33893)
2,4,6-trinitrobenzenesulfonic acid (CHEBI:53063) is a C-nitro compound (CHEBI:35716)
2,4,6-trinitrobenzenesulfonic acid (CHEBI:53063) is a arenesulfonic acid (CHEBI:33555)
IUPAC Name 
2,4,6-trinitrobenzenesulfonic acid
Synonyms  Source
Trinitrobenzenesulfonic acidChemIDplus
2,4,6-Trinitrobenzenesulfonic acidChemIDplus
2,4,6-Trinitrobenzene-1-sulfonic acidChemIDplus
Picryl sulfonic acidChemIDplus
TNBSChEBI
picrylsulfonic acidChEBI
Manual XrefsDatabases
2,4,6-Trinitrobenzenesulfonic_acidWikipedia
Registry NumbersSources
Gmelin:1051138Gmelin
Reaxys:572358Reaxys
CAS:2508-19-2ChemIDplus
Citations