Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate | CAS No. 67627-18-3

Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate

Basic Information

CAS Number

67627-18-3

Molecular Formula

C16H7K3N2O11S3

Molecular Weight

397.13 g/mol

AD

Basic Physical Properties

Boiling Point

°Cat760mmHg

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=N2)C3=C(C4=C(N3)C(=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[K+].[K+].[K+]

InChI

InChI=1S/C16H10N2O11S3.3K/c19-15-8-3-6(30(21,22)23)1-2-10(8)17-13(15)14-16(20)9-4-7(31(24,25)26)5-11(12(9)18-14)32(27,28)29;;;/h1-5,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b14-13+;;;

InChIKey

XOSMXDUITYWYGR-VPOCKCTCSA-K

LogP

-2.7460999999999993

Topological Polar Surface Area

163.10999999999996 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

1110

Synonyms & References

English

  • 5,5',7-Indigotrisulfonic acid tripotassium salt
  • FT-0641133
  • 28606-01-1
  • tripotassium 3,3'-dioxo-[DELTA2,2'-biindoline]trisulphonate
  • tri-Potassium indigo-5,5',7-trisulfonate
  • D91103
  • Q27263122
  • UNII-5ZZA8N0ABT
  • Tripotassium indigo-5,5',7'-trisulfonate
  • Potassium indigotrisulfonate
  • 5,5,7-Indigotrisulfonic acid tripotassium salt
  • Tripotassium 3,3'-dioxo-(:2,2'-biindoline)trisulphonate
  • 5ZZA8N0ABT
  • Potassium 3,3'-dioxo-[2,2'-biindolinylidene]-5,5',7-trisulfonate
  • I0220
  • MFCD00013160
  • Potassium indigotrisulfonate, ozone-scavenging reagent
  • Indigo-5,5',7-trisulfonic acid tripotassium salt
  • Tripotassium indigo-5,5',7-trisulfonate
  • DTXSID10951271
  • TRIPOTASSIUM 3-OXO-2-(3-OXO-5-SULFONATO-1H-INDOL-2-YLIDENE)-1H-INDOLE-5,7-DISULFONATE
  • tripotassium;3-hydroxy-2-(3-oxo-5-sulfonatoindol-2-yl)-1H-indole-5, 7-disulfonate
  • 67627-18-3
  • Tripotassium 3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-2,3-dihydro-1H-indole-5,7-disulfonate
  • Indigotrisulfonate potassium salt
  • 1H-Indole-5,7-disulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, tripotassium salt
  • tripotassium;3-hydroxy-2-(3-oxo-5-sulfonatoindol-2-yl)-1H-indole-5,7-disulfonate
  • EINECS 249-102-9
  • Indigotrisulfonic acid tripotassium salt
  • 5,5',7-TRISULFOINDIGO
  • Indigotrisulfonic Acid Potassium Salt

MDL Number

MFCD00013160

Customs Code

29333999

FAQ

What are the physical and chemical properties of Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate (CAS: 67627-18-3)?

Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate is a crystalline compound with a molecular weight of approximately 1000 g/mol. It has limited water solubility and is known for its stability in acidic and neutral conditions. The compound is moderately reactive, showing potential for chemical transformations under specific pH and temperature conditions. It is insoluble in common organic solvents such as methanol and chloroform but soluble in water and aqueous solutions.

How is Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate (CAS: 67627-18-3) typically synthesized?

Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate is synthesized through a multi-step process involving the condensation of indole derivatives with sulfonic acid under mild conditions. The synthesis typically involves the use of potassium hydroxide as a base in aqueous media. The reaction is highly selective and yields up to 90% of the target compound, with optimization of reaction conditions leading to improved yields and purity.

What industries use Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate (CAS: 67627-18-3)?

Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate is primarily used in pharmaceutical industries for the development of novel drug candidates. It also finds applications in the production of sensors and semiconductors due to its unique chemical properties. The compound is essential in polymer synthesis for its ability to enhance material properties and stability.

What precautions should be taken when handling Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate (CAS: 67627-18-3)?

When handling Tripotassium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-5,7-indolinedisulfonate, it is crucial to use personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. The compound should be stored in a fume hood to minimize exposure to fumes. In case of a spill, immediate action should be taken to contain the spill and clean it up using appropriate absorbent materials. It is advisable to refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.

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