Basic information
- CAS
28606-01-1- Standard SMILES
O=C1C(c2[nH]c3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3c2O)=Nc2ccc(S(=O)(=O)[O-])cc21.[K+].[K+].[K+]- InChIKey
BANKRXMWIUVRAN-UHFFFAOYSA-K- Molecular formula
- C16H7K3N2O11S3
- Average molar mass
- 616.7 g/mol
- Monoisotopic mass
- 615.81231708
Overview
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Names & identifiers
- Preferred name
- Potassium indigotrisulfonate
- IUPAC
- tripotassium;3-hydroxy-2-(3-oxo-5-sulfonatoindol-2-yl)-1H-indole-5,7-disulfonate
- English name
- POTASSIUM INDIGOTRISULFONATE
- Molecular formula
- C16H7K3N2O11S3
- Molecular weight
- 616.72
Names & synonyms
Potassium indigotrisulfonate67627-18-3Indigotrisulfonic Acid Potassium Salt28606-01-1MFCD00013160EINECS 249-102-95ZZA8N0ABTTripotassium indigo-5,5',7'-trisulfonateTripotassium 3,3'-dioxo-(:2,2'-biindoline)trisulphonatetripotassium 3,3'-dioxo-[DELTA2,2'-biindoline]trisulphonatetripotassium;3-hydroxy-2-(3-oxo-5-sulfonatoindol-2-yl)-1H-indole-5,7-disulfonateC16H7K3N2O11S3
Show more names
Potassium indigotrisulfotePotassiuM indigotrisulfonate 1GRPotassiuM indigotrisulfonate 5GR3-dihydro-3-oxo--tripotassiumsaltINDIGO TRISULFONATE POTASSIUM SALTIndigotrisulfonicAcidPotassiumSalt>TRIPOTASSIUM INDIGO-5,5',7-TRISULFONATE5,5',7-INDIGOTRISULFONIC ACID POTASSIUM
Potassium 3,3'-dioxo-[2,2'-biindolinylidene]-5,5',7-trisulfonateUNII-5ZZA8N0ABTSCHEMBL2867164SCHEMBL294312565,5',7-TRISULFOINDIGODTXSID10951271DTXSID7013517221H-Indole-5,7-disulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, tripotassium salt
Properties
Computed structural properties
- Topological polar surface area
- 262 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 1
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- storage temp.
- room temp
- solubility
- 0.1 % · water: 0.1%
- form
- powder to crystal
- color
- Gray to Dark purple to Black
- Water Solubility
- 0.1 % · water: 0.1%
- λmax
- 600 nm · 600 nm
- BRN
- 4932187 · 4932187
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- XOSMXDUITYWYGR-VPOCKCTCSA-K
- SMILES
- C12N/C(=C3/NC4C=CC(S([O-])(=O)=O)=CC=4C/3=O)/C(=O)C=1C=C(S([O-])(=O)=O)C=C2S([O-])(=O)=O.[K+].[K+].[K+]
- CAS DataBase Reference
- 67627 · 67627-18-3
- FDA UNII
- 5 ZZA8N0ABT · 5ZZA8N0ABT
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 24 · 24/25-22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29333999
- safety_code
- 24/25-22
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesOzone-scavenging reagent that reacts rapidly with ozone. Potassium indigotrisulfonate has been used:in colorimetric method of measurement of atmospheric ozone for measuring residual aqueous ozone by gas diffusion flow injection analysis. to determine O3 concentration in water.
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
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Compound notes
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