Sodium 6,7-Dihydroxynaphthalene-2-sulfonate - ≥98%(HPLC) , CAS No.135-53-5

CAS: 135-53-5 Cat. No.: S161084 Molecular Weight: 262.21 Beilstein Registry Number: 11308 EC Number: 205-198-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

A806948 | AKOS015897559 | SCHEMBL209712 | 2,3-Dihydroxynaphthalene-6-sulfonic Acid Monosodium Salt | AC7805 | DS Acid Monosodium Salt | EINECS 205-198-4 | Monosodium 6,7-Dihydroxynaphthalene-2-sulfonate | Sodium 2,3-dihydroxyll naphthalene-6-sulfonate | 2

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

A806948 | AKOS015897559 | SCHEMBL209712 | 2, 3-Dihydroxynaphthalene-6-sulfonic Acid Monosodium Salt | AC7805 | DS Acid Monosodium Salt | EINECS 205-198-4 | Monosodium 6, 7-Dihydroxynaphthalene-2-sulfonate | Sodium 2, 3-dihydroxyll naphthalene-6-sulfonate | 2

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488194861
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194861
• Canonical Smiles: C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;6,7-dihydroxynaphthalene-2-sulfonate
• InChIKey: JFXDYPLHFRYDJD-UHFFFAOYSA-M
• INCHI: 1S/C10H8O5S.Na/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12;/h1-5,11-12H,(H,13,14,15);/q;+1/p-1
• Isomeric SMILES: C1=CC(=CC2=CC(=C(C=C21)O)O)S(=O)(=O)[O-].[Na+]
• Alternate CAS: 92-27-3
• Molecular Weight: 262.21
• Beilstein: 11308
• Reaxy-Rn: 4059069

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 sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 2-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 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 - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organic sodium salt - Organic cation - 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

• Solubility: Soluble in water
• Sensitivity: air sensitive
• Molecular Weight: 262.220 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 261.991 Da
• Monoisotopic Mass: 261.991 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 352.000
• 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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