Hydroxy naphthol blue disodium salt - ACS , CAS No.165660-27-5

CAS: 165660-27-5 Cat. No.: H119412 Peso molecular: 598.49 Número EC: 683-364-9 PubChem CID: 135889525

GRADE & PURITY ACS

Synonyms

AKOS015902769 | FT-0643588 | J-010220 | MFCD00004075 | disodium;3-hydroxy-4-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonaphthalene-2-sulfonate | Hydroxy naphthol blue disodium salt | HYDROXY NAPHTHOL BLUE | AM84566 | Sodium 3-hydroxy-4-((2-hy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015902769 | FT-0643588 | J-010220 | MFCD00004075 | disodium;3-hydroxy-4-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonaphthalene-2-sulfonate | Hydroxy naphthol blue disodium salt | HYDROXY NAPHTHOL BLUE | AM84566 | Sodium 3-hydroxy-4-((2-hy

Especificaciones y pureza

ACS

Mecanismos bioquímicos y fisiológicos

Hydroxy naphthol blue disodium salt exists as small blue crystals. It changes color at pH range 12-13 from blue to reddish pink, in the presence of calcium ions and to deep blue in the presence of disodium ethylenediaminetetraacetic acid (EDTA).

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

ACS

Nombres e identificadores

• Pubchem Sid: 488203010
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488203010
• PH: 7.9
• Sonrisas canónicas: 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+]
• IUPAC Name: disodium;3-hydroxy-4-[(2-hydroxy-4-sulfonatonaphthalen-1-yl)diazenyl]-7-sulfonaphthalene-2-sulfonate
• InChIKey: WPDDXLRAJOPBIR-UHFFFAOYSA-L
• INCHI: 1S/C20H14N2O11S3.2Na/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;2*+1/p-2
• Isómeros 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+]
• WGK Alemania: 3
• PubChem CID: 135889525
• Peso molecular: 598.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonate - 1-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic acid or derivatives - 2-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused 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

Propiedades químicas y físicas

• Solubilidad: water: soluble
• Punto de fusión (°C): 274℃（525.2 °F）
• Peso molecular: 598.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 3
• Exact Mass: 597.94 Da
• Monoisotopic Mass: 597.94 Da
• Topological Polar Surface Area: 259.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1130.000
• 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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