2,4,6-Trinitrobenzenesulfonic acid

Chemical compound From Wikipedia, the free encyclopedia

Trinitrobenzenesulfonic acid (C6H3N3O9S) is a nitroaryl oxidizing acid and explosive, used in biochemical research.

Quick facts Names, Identifiers ...
2,4,6-Trinitrobenzene Sulfonic Acid
2,4,6-Trinitrobenzenesulfonic acid molecule
Names
Preferred IUPAC name
2,4,6-Trinitrobenzene-1-sulfonic acid
Other names
Picrylsulfonic acid; Trinitrobenzene sulfonate; TNBS
Identifiers
3D model (JSmol)
572358
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.017.925 Edit this at Wikidata
EC Number
  • 219-717-7
1051138
UNII
UN number 0386
  • 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) checkY
    Key: NHJVRSWLHSJWIN-UHFFFAOYSA-N checkY
  • InChI=1/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)
    Key: NHJVRSWLHSJWIN-UHFFFAOYAG
  • O=S(=O)(O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
Properties
C6H3N3O9S
Molar mass 293.16 g·mol−1
Density 0.955 g/cm3
Hazards
GHS labelling:
GHS01: ExplosiveGHS05: CorrosiveGHS06: Toxic
Danger
H317, H334
P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 4: Will rapidly or completely vaporize at normal atmospheric pressure and temperature, or is readily dispersed in air and will burn readily. Flash point below 23 °C (73 °F). E.g. propaneInstability 4: Readily capable of detonation or explosive decomposition at normal temperatures and pressures. E.g. nitroglycerinSpecial hazard OX: Oxidizer. E.g. potassium perchlorate
2
4
4
OX
Related compounds
Related compounds
 Picric acid
Trinitroanisole
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Uses

Its primary usage is primarily to neutralize peptide terminal amino groups in scientific research.[1] Occasionally it is used as a detonator for certain other explosive compounds.[citation needed]

The compound is currently being investigated for its effects on the immune system.[2] It is used to induce colitis in the colon of laboratory animals in order to model inflammatory bowel disease and post-infectious irritable bowel syndrome.[3]

Safety precautions

The compound has generally not been investigated for toxicity. However, the primary hazard of working with 2,4,6-trinitrobenzenesulfonic acid is the risk of explosion. Similar to other polynitroaryl acids (e.g. picric acid, TNT), 2,4,6-trinitrobenzenesulfonic acid can explode when heated strongly and mechanically disturbed, even in the presence of common phlegmatizers such as water. It will rapidly heat to ignition if exposed to medium-strong reducing agents, including hydrides, sulfides, and nitrides.[4]

References

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