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

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ChEBI Name	2,4,6-trinitrobenzenesulfonic acid

ChEBI ID	CHEBI:53063

Definition	The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB3737855, eMolecules:532891, ZINC000059344333

Download	Molfile XML SDF

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Formula

C6H3N3O9S

Net Charge

Average Mass

293.16800

Monoisotopic Mass

292.95900

InChI

InChI=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)

InChIKey

NHJVRSWLHSJWIN-UHFFFAOYSA-N

SMILES

OS(=O)(=O)c1c(cc(cc1[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.

Biological Role(s):	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(s):	reagent A substance used in a chemical reaction to detect, measure, examine, or produce other substances.

ChEBI Ontology
Outgoing	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	Sources
2,4,6-Trinitrobenzene-1-sulfonic acid	ChemIDplus
2,4,6-Trinitrobenzenesulfonic acid	ChemIDplus
Picryl sulfonic acid	ChemIDplus
picrylsulfonic acid	ChEBI
TNBS	ChEBI
Trinitrobenzenesulfonic acid	ChemIDplus

Manual Xref	Database
2,4,6-Trinitrobenzenesulfonic_acid	Wikipedia
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Citations

Last Modified

14 May 2013