Sodium 1,5-naphthalenedisulfonate dibasic - ≥98% , CAS No.1655-29-4

CAS: 1655-29-4 Cat. No.: S109282 Molecular Weight: 332.26 Beilstein Registry Number: 3642373 EC Number: 216-732-0 PubChem CID: 74248

GRADE & PURITY ≥98%

Synonyms

N0441 | NSC 12189 | SCHEMBL127422 | NSC-12189 | AKOS015893939 | 1,5-naphthalenedisulfonic acid sodium salt | UNII-28R71P6A5J | DTXSID7041255 | J170.905D | disodium;naphthalene-1,5-disulfonate | Sodium 1,5-naphthalenedisulfonate | 1,5-Naphthalenedisulfonic

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N0441 | NSC 12189 | SCHEMBL127422 | NSC-12189 | AKOS015893939 | 1, 5-naphthalenedisulfonic acid sodium salt | UNII-28R71P6A5J | DTXSID7041255 | J170.905D | disodium;naphthalene-1, 5-disulfonate | Sodium 1, 5-naphthalenedisulfonate | 1, 5-Naphthalenedisulfonic

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;naphthalene-1,5-disulfonate
• InChIKey: YGSZNSDQUQYJCY-UHFFFAOYSA-L
• INCHI: 1S/C10H8O6S2.2Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-].[Na+].[Na+]
• WGK Germany: 1
• PubChem CID: 74248
• Molecular Weight: 332.26
• Beilstein: 3642373
• Reaxy-Rn: 3642373

Taxonomic Classification

Taxonomy Tree

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

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in Water almost transparency
• Sensitivity: Hygroscopic
• Molecular Weight: 332.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 331.94 Da
• Monoisotopic Mass: 331.94 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 423.000
• 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

XLogP3

References

1. Qiang Li, Yongyi He, Tingfang Tian, Hu Liu.  (2025)  Interfacial Engineering and Defect Passivation via Naphthalene Disulfonate-Modified NiOx to Improve the Stability of Perovskite Light-Emitting Diodes.  ACS Applied Materials & Interfaces,      [PMID:40815544] [10.1021/acsami.5c07705]