ChemicalBook CAS DataBase List 2508-19-2

2508-19-2

Name	2,4,6-TRINITROBENZENESULFONIC ACID
CAS	2508-19-2
EINECS(EC#)	219-717-7
Molecular Formula	C6H3N3O9S
MDL Number	MFCD00064382
Molecular Weight	293.17
MOL File	2508-19-2.mol

Synonyms

2,4,6-TRINITOBENZENESULFONIC ACID 2,4,6-TRINITROBENZENESULFONIC ACID 2,4,6-TRINITROBENZENESULPHONIC ACID PICRYLSULFONIC ACID TNBS TNBSA Trinitrobenzene sulphonic acid 2,4,6-trinitro-benzenesulfonicaci 2,4,6-trinitrobenzenesulfonicacidsol. trinitrobenzenesulfonicacid 2,4,6-trinitrobenzenesulfonic acid solution picrylsulfonic acid hydrate 5% (W/V)*aqueous solu Picrylsulfonic acid solution 2,4,6-TRINITROBENZENESULFONIC ACID SOL., 0.5 M IN ETHANOL PICRYLSULFONIC ACID HYDRATE 5% (W/V)*AQU EOUS SOLUTI TrinitrobenzoylsulfonicAcid Benzenesulfonic acid, 2,4,6-trinitro- PICRYLSULFONICACID,10%AQUEOUSSOLUTION PICRYLSULFONICACID,5%(W/V)SOLUTIONINMETHANOL PICRYLSULPHONICACID

Chemical Properties

density	1.14 g/mL at 20 °C
refractive index	n20/D 1.431
Fp	58 °C
storage temp.	2-8°C
solubility	soluble
form	liquid
pka	-3.05±0.50(Predicted)
BRN	572358
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	C1(S(O)(=O)=O)=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1[N+]([O-])=O
CAS DataBase Reference	2508-19-2(CAS DataBase Reference)
EPA Substance Registry System	Benzenesulfonic acid, 2,4,6-trinitro- (2508-19-2)

Safety Data

Symbol(GHS)	GHS05,GHS07
Signal word	Danger
Hazard statements	H314-H317
Precautionary statements	P261-P272-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes	T,Xn,C,F
Risk Statements	R61:May cause harm to the unborn child. R20/21:Harmful by inhalation and in contact with skin . R36:Irritating to the eyes. R43:May cause sensitization by skin contact. R36/38:Irritating to eyes and skin . R22:Harmful if swallowed. R1:Explosive when dry. R34:Causes burns. R25:Toxic if swallowed. R11:Highly Flammable. less more
Safety Statements	S53:Avoid exposure-obtain special instruction before use . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37:Wear suitable protective clothing and gloves . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S16:Keep away from sources of ignition-No smoking . less more
RIDADR	UN 3265 8/PG 3
WGK Germany	1
RTECS	DA9138500
TSCA	TSCA listed
HazardClass	1.1D
PackingGroup	Ⅱ
Storage Class	8B - Non-combustible corrosive hazardous materials
Hazard Classifications	Eye Dam. 1 Skin Corr. 1B Skin Sens. 1
Hazardous Substances Data	2508-19-2(Hazardous Substances Data)

Hazard Information

General Description

A detonating explosive substance derived from an organic sulfonic acid. Primary hazard is blast of an instantaneous explosion, not flying projectiles or fragments. Under prolonged exposure to fire or heat the containers may explode violently.

Reactivity Profile

TRINITROBENZENE SULFONIC ACID(2508-19-2) is a nitroaryl oxidizing acid. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Air & Water Reactions

Soluble in water. Solution exhibits a strong acidic reaction.

Health Hazard

Fire may produce irritating, corrosive and/or toxic gases.

Fire Hazard

MAY EXPLODE AND THROW FRAGMENTS 1600 meters (1 MILE) OR MORE IF FIRE REACHES CARGO.

Uses

Hydrophilic modifying reagent. Derivatives with amino compounds can be regenerated with hydrazine.', 'Picrylsulfonic acid solution has been used:

to assess the efficiency of carboxymethyl lysine (CML) modifications of exposed primary amines
to incubate zona intact bovine embryos for the differential staining of blastocysts
to induce irritable bowel syndrome (IBS) in mice and to study its effects on Clostridium butyricum

Definition

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

Purification Methods

Recrystallise TNBS from 1M HCl, or a mixture of EtOH (50mL), H2O (30mL) and conc HCl (70mL) for 65g of acid, and dry it at 100o. The diethanolamine salt had m 182-183o [Golumbic J Org Chem 11 518 1946]. [Beilstein 11 III 161.]

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