sodium 3-[(E)-{[(1E)-[2-(2-carboxyphenyl)hydrazin-1-ylidene](phenyl)methyl]imino}amino]-4-hydroxybenzene-1-sulfonate

• ChemBase ID: 105067
• Molecular Formular: C20H15N4NaO6S
• Molecular Mass: 462.41107
• Monoisotopic Mass: 462.0609995
• SMILES: [Na+].OC(=O)c1ccccc1N/N=C(/N=N/c1cc(ccc1O)S(=O)(=O)[O-])\c1ccccc1
• Canonical SMILES: Oc1ccc(cc1/N=N/C(=N/Nc1ccccc1C(=O)O)/c1ccccc1)S(=O)(=O)[O-].[Na+]
• InChI: 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;/h1-12,21,25H,(H,26,27)(H,28,29,30);/q;+1/p-1
• InChIKey: DVHNWVSFUULGKM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 3-[(E)-{[(1E)-[2-(2-carboxyphenyl)hydrazin-1-ylidene](phenyl)methyl]imino}amino]-4-hydroxybenzene-1-sulfonate; sodium 3-[({[2-(2-carboxyphenyl)hydrazin-1-ylidene](phenyl)methyl}imino)amino]-4-hydroxybenzene-1-sulfonate
• IUPAC Traditional name: sodium 3-[({[2-(2-carboxyphenyl)hydrazin-1-ylidene](phenyl)methyl}imino)amino]-4-hydroxybenzenesulfonate; sodium 3-[(E)-{[(1E)-[2-(2-carboxyphenyl)hydrazin-1-ylidene](phenyl)methyl]imino}amino]-4-hydroxybenzenesulfonate; potassium 3-[({[2-(2-carboxyphenyl)hydrazin-1-ylidene](phenyl)methyl}imino)amino]-4-hydroxybenzenesulfonate
• Synonyms: 2-[5-(2-Hydroxy-5-sulfophenyl)-3-phenyl-1-formazyl]benzoic acid sodium salt; 2-Carboxy-2′-hydroxy-5′-sulfoformazyl-benzene sodium salt; Zincon sodium salt; 2-[5-(2-Hydroxy-5-sulfophenyl)-3-phenyl-1-formazyl]benzoic acid monosodium salt; 2-Carboxy-2′-hydroxy-5′-sulfoformazyl-benzene monosodium salt; Zincon monosodium salt; 2-Carboxy-2'-hydroxy-5'-sulfoformazylbenzene; ZINCON SODIUM SALT; 2-羧基-2′-羟基-5′-磺苯甲酸 钠盐; 邻[5-(2-羟基-5-磺基苯偶氮)亚苄基]肼基苯甲酸 钠盐; 锌试剂 钠盐; 锌钠混合试剂; 2-羧基-2′-羟基-5′-磺苯甲酸 单钠盐; 邻[5-(2-羟基-5-磺基苯偶氮)亚苄基]肼基苯甲酸 单钠盐; 锌试剂 单钠盐

Database IDs

• CAS Number: 56484-13-0; 62625-22-3
• EC Number: 263-651-1
• MDL Number: MFCD00064385
• Beilstein Number: 728403; 3872699
• PubChem SID: 162093271; 24890297; 24852006
• PubChem CID: 23668605

CALCULATED PROPERTIES

• Acid pKa: -2.6641016
• H Acceptors: 10
• H Donor: 3
• LogD (pH = 5.5): 0.6017207
• LogD (pH = 7.4): -1.4400837
• Log P: 3.4274757
• Molar Refractivity: 114.4005 cm^3
• Polarizability: 42.387722 Å^3
• Polar Surface Area: 163.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250-260 °C (dec.); ca 203°C dec.
• Absorption Wavelength: λmax 523 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Compostion: Dye content, 85%
• Quality: for spectrophotometric det. of Cu, Zn
• Empirical Formula (Hill Notation): C20H15N4NaO6S

DETAILS

MP Biomedicals - 02158317

A colorimetric indicator for Zn, Cu and Hg.
Sodium Salt

Sigma Aldrich - 201332

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 96440

Application
A colorimetric indicator for Zn, Cu and Hg
Other Notes
Reagent for the spectrophotometric determination of zinc1,2; Simultaneous determination of zinc and copper3; Used in automated flow injection analysis of zinc4

REFERENCES

• Reagent for spectrophotometric determination of Zn.