Potassium 6-Hydroxy-2-naphthalenesulfonate - ≥98%(HPLC) , CAS No.833-66-9

CAS: 833-66-9 Cat. No.: P160602 Molecular Weight: 262.32 Beilstein Registry Number: 11282 EC Number: 212-631-0 PubChem CID: 23677963

GRADE & PURITY ≥98%(HPLC)

Synonyms

Q27259631 | FT-0633017 | MFCD06797149 | Tox21_201245 | 6-Hydroxy-2-naphthalenesulfonic Acid Potassium Salt | N0703 | Potassium 6-hydroxynaphthalene-2-sulphonate | SCHEMBL5696254 | 2-Naphthalenesulfonic acid, 6-hydroxy-, potassium salt (1:1) | D91765 | DTX

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Q27259631 | FT-0633017 | MFCD06797149 | Tox21_201245 | 6-Hydroxy-2-naphthalenesulfonic Acid Potassium Salt | N0703 | Potassium 6-hydroxynaphthalene-2-sulphonate | SCHEMBL5696254 | 2-Naphthalenesulfonic acid, 6-hydroxy-, potassium salt (1:1) | D91765 | DTX

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200501
• Canonical Smiles: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[K+]
• IUPAC Name: potassium;6-hydroxynaphthalene-2-sulfonate
• InChIKey: PZWWSVPMGHDZNJ-UHFFFAOYSA-M
• INCHI: 1S/C10H8O4S.K/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;/h1-6,11H,(H,12,13,14);/q;+1/p-1
• Isomeric SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[K+]
• PubChem CID: 23677963
• Molecular Weight: 262.32
• Beilstein: 11282
• Reaxy-Rn: 3776261

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 2-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic oxygen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Aromatic homopolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 262.330 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 261.97 Da
• Monoisotopic Mass: 261.97 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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