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

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

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
View more database links

Last Modified

14 May 2013