Hydroxynaphthol blue - indicator for metal titration , CAS No.63451-35-4

CAS: 63451-35-4 Cat. No.: H103107 Molecular Weight: 620.47 EC Number: 264-197-7 PubChem CID: 113232

GRADE & PURITY indicator for metal titration

Synonyms

MFCD00036393 | VG5SKF7S6C | DTXSID8069852 | 1,1'-Azonaphthalene, 2,2'-dihydroxy-3,3',6-trisulfonic acid-, trisodium salt | 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((2-hydroxy-4-sulfo-1-naphthalenyl)azo)-, trisodium salt | EINECS 264-197-7 | Trisodium

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00036393 | VG5SKF7S6C | DTXSID8069852 | 1, 1'-Azonaphthalene, 2, 2'-dihydroxy-3, 3', 6-trisulfonic acid-, trisodium salt | 2, 7-Naphthalenedisulfonic acid, 3-hydroxy-4-((2-hydroxy-4-sulfo-1-naphthalenyl)azo)-, trisodium salt | EINECS 264-197-7 | Trisodium

Specifications & Purity

indicator for metal titration

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488187496
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187496
• Canonical Smiles: C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;3-hydroxy-4-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
• InChIKey: AUIINJJXRXMPGT-UHFFFAOYSA-K
• INCHI: 1S/C20H14N2O11S3.3Na/c23-15-9-16(35(28,29)30)13-3-1-2-4-14(13)18(15)21-22-19-12-6-5-11(34(25,26)27)7-10(12)8-17(20(19)24)36(31,32)33;;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• WGK Germany: 3
• PubChem CID: 113232
• Molecular Weight: 620.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass 1,1'-azonaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: 1,1'-azonaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,1'-azonaphthalenes
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1,1'-azonaphthalene - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic salt - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,1'-azonaphthalenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to the 1-position of a naphthalene ring system. Naphthalene is a compound made up of two fused benzene rings.
• 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

Chemical and Physical Properties

• Molecular Weight: 620.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 2
• Exact Mass: 619.922 Da
• Monoisotopic Mass: 619.922 Da
• Topological Polar Surface Area: 262.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 1120.000
• 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: 4

XLogP3

References

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