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2508-19-2

2508-19-2 Structure

2508-19-2 Structure
IdentificationMore
[Name]

2,4,6-TRINITROBENZENESULFONIC ACID
[CAS]

2508-19-2
[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
[EINECS(EC#)]

219-717-7
[Molecular Formula]

C6H3N3O9S
[MDL Number]

MFCD00064382
[Molecular Weight]

293.17
[MOL File]

2508-19-2.mol
Chemical PropertiesBack Directory
[density ]

1.14 g/mL at 20 °C
[refractive index ]

n20/D 1.431
[Fp ]

58 °C
[storage temp. ]

2-8°C
[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 DataBack Directory
[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.
[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 .
[RIDADR ]

UN 3265 8/PG 3
[WGK Germany ]

1
[RTECS ]

DA9138500
[HazardClass ]

1.1D
[PackingGroup ]

[Hazardous Substances Data]

2508-19-2(Hazardous Substances Data)
Hazard InformationBack Directory
[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.]
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2508-19-2(sigmaaldrich)
[TCI AMERICA]

Picrylsulfonic Acid  (ca. 1% in N,N-Dimethylformamide) [for Detection of Primary Amines](2508-19-2)
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