Indigo Carmine Indicator , CAS No.860-22-0

CAS: 860-22-0 Cat. No.: I196527 Formula: C₁₆H₈N₂Na₂O₈S₂ Molecular Weight: 466.35 Beilstein Registry Number: 4103904 EC Number: 212-728-8

Synonyms

Indigo Carmine BP | Indigotine B | Disodium indigo-5,5-disulfonate | HD Indigo Carmine Supra | INS NO.132 | CI 73015 | Grape Blue A Geigy | Modr Potravinarska 1 [Czech] | Disodium 5,5'-disulfoindigo | Food Blue No. 2 | Indigotine Extra Pure A | Modr Kysel

Storage

Room temperature

Shipped In

Normal

Overview

pH indicator (blue at pH 11.6 and yellow at 13.0). Tissue stain. Also a tool for the determination of hypochlorite

Specifications

Synonyms

Indigo Carmine BP | Indigotine B | Disodium indigo-5,5-disulfonate | HD Indigo Carmine Supra | INS NO.132 | CI 73015 | Grape Blue A Geigy | Modr Potravinarska 1 [Czech] | Disodium 5,5'-disulfoindigo | Food Blue No. 2 | Indigotine Extra Pure A | Modr Kysel

Biochemical and Physiological Mechanisms

pH indicator (blue at pH 11.4 and yellow at 13.0). Tissue stain. Also a tool for the determination of hypochlorite.

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Names and Identifiers

Canonical Smiles

[Na+].[Na+].[O-]S(=O)(=O)c1ccc2NC(\C(=O)c2c1)=C3\Nc4ccc(cc4C3=O)S([O-])(=O)=O

IUPAC Name

disodium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate

InChIKey

KHLVKKOJDHCJMG-QDBORUFSSA-L

INCHI

1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+]

Molecular Weight

466.35

Beilstein

4103904

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): >340 °C
• Molecular Weight: 466.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 465.952 Da
• Monoisotopic Mass: 465.952 Da
• Topological Polar Surface Area: 197.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 877.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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