Sodium 1-Naphthol-8-sulfonate - ≥96%(HPLC) , CAS No.20215-36-5

CAS: 20215-36-5 Cat. No.: S161175 Peso molecular: 246.21 PubChem CID: 23672328

GRADE & PURITY ≥96%(HPLC)

Synonyms

DTXSID50174063 | 1-Naphthalenesulfonic acid, 8-hydroxy-, sodium salt (1:1) | 8-Hydroxy-1-naphthalenesulfonic Acid Sodium Salt | Sodium 8-hydroxynaphthalene-1-sulphonate | sodium;8-hydroxynaphthalene-1-sulfonate | sodium 8-hydroxynaphthalene-1-sulfonate |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID50174063 | 1-Naphthalenesulfonic acid, 8-hydroxy-, sodium salt (1:1) | 8-Hydroxy-1-naphthalenesulfonic Acid Sodium Salt | Sodium 8-hydroxynaphthalene-1-sulphonate | sodium;8-hydroxynaphthalene-1-sulfonate | sodium 8-hydroxynaphthalene-1-sulfonate |

Especificaciones y pureza

≥96%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488200458
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200458
• Sonrisas canónicas: C1=CC2=C(C(=C1)O)C(=CC=C2)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;8-hydroxynaphthalene-1-sulfonate
• InChIKey: PEYXCGCCIWJCTM-UHFFFAOYSA-M
• INCHI: 1S/C10H8O4S.Na/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h1-6,11H,(H,12,13,14);/q;+1/p-1
• Isómeros SMILES: C1=CC2=C(C(=C1)O)C(=CC=C2)S(=O)(=O)[O-].[Na+]
• PubChem CID: 23672328
• Peso molecular: 246.21
• Reaxy-Rn: 3640153

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 1-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 1-naphthalene sulfonates
• Alternative Parents: 1-naphthalene sulfonic acids and derivatives Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 1-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic salt - Organic sodium salt - Organic cation - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-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

• Peso molecular: 246.220 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 245.996 Da
• Monoisotopic Mass: 245.996 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 324.000
• 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: 2

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