Zincon indicator - indicator , CAS No.62625-22-3

CAS: 62625-22-3 Cat. No.: Z299391 Formula: C₂₀H₁₅N₄NaO₆S Molecular Weight: 462.41 Beilstein Registry Number: 728403 EC Number: 263-651-1 PubChem CID: 135472945

GRADE & PURITY Indicator

Synonyms

2-[5-(2-Hydroxy-5-sulfophenyl)-3-phenyl-1-formazyl]benzoic acid monosodium salt | sodium;3-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]-4-hydroxybenzenesulfonate | MFCD00064385 | J-006711 | SCHEMBL3188216 | Zincon sodium salt hydrate

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Zincon is a colorimetric indicator used for the spectrophotometric determination of zinc, mercury, and copper. It can also be used for automated flow injection analysis of zinc.

Specifications

Synonyms

2-[5-(2-Hydroxy-5-sulfophenyl)-3-phenyl-1-formazyl]benzoic acid monosodium salt | sodium;3-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]-4-hydroxybenzenesulfonate | MFCD00064385 | J-006711 | SCHEMBL3188216 | Zincon sodium salt hydrate

Specifications & Purity

indicator

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Indicator

Names and Identifiers

Canonical Smiles

C1=CC=C(C=C1)C(=NNC2=C(C=CC(=C2)S(=O)(=O)[O-])O)N=NC3=CC=CC=C3C(=O)O.[Na+]

IUPAC Name

sodium;3-[(2E)-2-[[(2-carboxyphenyl)diazenyl]-phenylmethylidene]hydrazinyl]-4-hydroxybenzenesulfonate

InChIKey

XBGLXASXFRESIN-JGXOCYJHSA-M

INCHI

1S/C20H16N4O6S.Na/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27;/h1-12,22,25H,(H,26,27)(H,28,29,30);/q;+1/p-1/b23-21?,24-19+;

Isomeric SMILES

C1=CC=C(C=C1)/C(=N\NC2=C(C=CC(=C2)S(=O)(=O)[O-])O)/N=NC3=CC=CC=C3C(=O)O.[Na+]

WGK Germany

3

PubChem CID

135472945

Molecular Weight

462.41

Beilstein

728403

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Phenylhydrazines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Formazans Azo compounds Propargyl-type 1,3-dipolar organic compounds Hydrazones Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Phenylhydrazine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Formazan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Organic alkali metal salt - Organonitrogen compound - Organic oxide - Organic salt - Organic zwitterion - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic sodium salt - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

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SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

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POLH Tchem DNA polymerase eta (21678 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

Discover Target: L3MBTL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Associated Targets(non-human)

Dengue virus type 2 NS3 protein (2214 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Phosphoglycerate kinase, glycosomal (2184 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (slightly at 20 °C), alcohol (slightly), and aqueous alkali. Insoluble in most organic solvents., ,
• Melt Point(°C): 250-260°C
• Molecular Weight: 462.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 462.061 Da
• Monoisotopic Mass: 462.061 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 781.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3