1,5-Naphthalenedisulfonic acid tetrahydrate - ≥97% , CAS No.211366-30-2

CAS: 211366-30-2 Cat. No.: N105697 Molecular Weight: 360.36 Beilstein Registry Number: 11212 EC Number: 678-302-2

GRADE & PURITY ≥97%

Synonyms

1,5-Naphthalenedisulfonic acid, hydrate (1:4) | Naphthalene-1,5-disulfonic acid--water (1/4) | 1,5-Naphthalenedisulfonic acid, tetrahydrate | J-013873 | ZLBLYGIIADHDKG-UHFFFAOYSA-N | 1,5-naphthalenedisulphonic acid tetrahydrate | E76676 | 1,5-Naphthalened

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 5-Naphthalenedisulfonic acid, hydrate (1:4) | Naphthalene-1, 5-disulfonic acid--water (1/4) | 1, 5-Naphthalenedisulfonic acid, tetrahydrate | J-013873 | ZLBLYGIIADHDKG-UHFFFAOYSA-N | 1, 5-naphthalenedisulphonic acid tetrahydrate | E76676 | 1, 5-Naphthalened

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201559
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201559
• Canonical Smiles: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O.O.O.O.O
• IUPAC Name: naphthalene-1,5-disulfonic acid;tetrahydrate
• InChIKey: ZLBLYGIIADHDKG-UHFFFAOYSA-N
• INCHI: 1S/C10H8O6S2.4H2O/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);4*1H2
• Isomeric SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O.O.O.O.O
• WGK Germany: 3
• UN Number: 2585
• Molecular Weight: 360.36
• Beilstein: 11212
• Reaxy-Rn: 13669083
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13669083&ln=

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 oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Melt Point(°C): 163.3°C
• Molecular Weight: 360.400 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 360.018 Da
• Monoisotopic Mass: 360.018 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 449.000
• 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: 5

XLogP3

References

1. Wenmin Li, Tingting Xu, Fangmeng Sheng, Yue Wang, Yifan Li, Yuan Xia, Bin Wu, Xingya Li, Tongwen Xu.  (2024)  UiO-66 membranes with confined naphthalene disulfonic acid for selective monovalent ion separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122829]

2. Guowei Chen, Yang He, Shen Xiang, Yiping Zhao, Li Chen.  (2026)  Marangoni-driven assembly of HOF-PDMS composite membranes with enhanced CO2/O2 separation performance.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2026.124180]