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137-51-9

137-51-9 Structure

137-51-9 Structure
IdentificationMore
[Name]

4-Amino-1,3-benzenedisulfonic acid
[CAS]

137-51-9
[Synonyms]

4-Amino-1,3-benzenedisulfonic acid
4-aminobenzene-1,3-disulphonic acid
ANILINE-2,4-DISULFONIC ACID
ANILINE-2,4-DISULPHONIC ACID
3-Benzenedisulfonicacid,4-amino-1
4-amino-3-benzenedisulfonicacid
4-Amino-m-benzenedisulfonicacid
4-Aminobenzene-1,3-Disulfonic Acid
[EINECS(EC#)]

205-299-3
[Molecular Formula]

C6H7NO6S2
[MDL Number]

MFCD00035903
[Molecular Weight]

253.25
[MOL File]

137-51-9.mol
Chemical PropertiesBack Directory
[Melting point ]

>259°C (dec.)
[Boiling point ]

497.45°C[at 101 325 Pa]
[density ]

1.844±0.06 g/cm3(Predicted)
[vapor pressure ]

0Pa@25°C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

-0.93±0.48(Predicted)
[color ]

White to Grey
[Water Solubility ]

4.3g/L@21°C
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C6H7NO6S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3H,7H2,(H,8,9,10)(H,11,12,13)
[InChIKey]

IMUUNYPYNWXUBO-UHFFFAOYSA-N
[SMILES]

C1(S(O)(=O)=O)=CC=C(N)C(S(O)(=O)=O)=C1
[LogP]

-0.959 at 21℃
[CAS DataBase Reference]

137-51-9(CAS DataBase Reference)
[EPA Substance Registry System]

137-51-9(EPA Substance)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

FUMING SULFURIC ACID-->Sulfanilic acid
[Preparation Products]

Direct Brown 79-->C.I.Reactive orange 67
Safety DataBack Directory
[TSCA ]

TSCA listed
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

4-Amino-1,3-benzenedisulfonic Acid is used as a reagent in the synthesis of arylazopyridoxal phosphate and phosphonate derivatives as P2 receptor antagonists.
[Production Methods]

4-Amino-1,3-benzenedisulfonic acid is freely soluble in water and ethyl alcohol. It is prepared by sulfonating 4-aminobenzenesulfonic acid with oleum at 20 ℃ and130 ℃ (4 – 6.5 h), draining the sulfonation mixture into water under pressure, adding lime at 70 – 75 ℃, separating the resulting gypsum, precipitating the calcium ions with soda, removing the calcium carbonate formed, and concentrating the sodium salt solution by evaporation. Yield 90 – 91%
[Flammability and Explosibility]

Nonflammable(100%)
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-1,3-benzenedisulfonic acid(137-51-9)1HNMR
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