Trisodium Naphthalene-1,3,6-trisulfonate Hydrate - 65.0%(HPLC) , CAS No.5182-30-9

CAS: 5182-30-9 Cat. No.: T162157 Molecular Weight: 434.29 (anhydrous basis) EC Number: 225-962-0

GRADE & PURITY 65.0%(HPLC)

Synonyms

Naphthalene-1,3,6-trisulfonic acid tri-sodium salt hydrate | Naphthalene-1,3,6-trisulfonic acid trisodium salt hydrate, tech. | Naphthalene-1,3,6-trisulfonic Acid Trisodium Salt | Naph-1,3,6-triSO3H | 1,3,6-Naphthalenetrisulfonic acid, sodium salt (1:3) |

Storage

Room temperature

Shipped In

Normal

Overview

1,3, (6,7) - naphthalene trisulfonic acid trisodium salt hydrate is an anionic pigment commonly used in the production of Ni, PPy NTS, and PPy PTS electrodes to enhance hydrogen evolution reactions.

Specifications

Synonyms

Naphthalene-1, 3, 6-trisulfonic acid tri-sodium salt hydrate | Naphthalene-1, 3, 6-trisulfonic acid trisodium salt hydrate, tech. | Naphthalene-1, 3, 6-trisulfonic Acid Trisodium Salt | Naph-1, 3, 6-triSO3H | 1, 3, 6-Naphthalenetrisulfonic acid, sodium salt (1:3) |

Specifications & Purity

65.0%(HPLC)

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488185629
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185629
• Canonical Smiles: C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;naphthalene-1,3,6-trisulfonate
• InChIKey: NJPKYOIXTSGVAN-UHFFFAOYSA-K
• INCHI: 1S/C10H8O9S3.3Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3
• Isomeric SMILES: C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• Alternate CAS: 123409-01-8；1266615-64-8
• Molecular Weight: 434.29 (anhydrous basis)
• Reaxy-Rn: 4637600

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 1-naphthalene sulfonic acids and derivatives 1-naphthalene sulfonates 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 - 2-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-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 sodium salt - Organic salt - 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

Associated Targets(non-human)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 434.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 433.879 Da
• Monoisotopic Mass: 433.879 Da
• Topological Polar Surface Area: 197.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 680.000
• 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: 4

XLogP3

References

1. Bai Yang, Meng Yuanyuan, Yang Ming, Tian Ruijia, Wang Jingnan, Jiao Boxin, Pan Haibin, Gao Jiangwei, Wang Yaohua, Sun Kexuan, Zhou Shujing, Lu Xiaoyi, Song Zhenhua, Liu Chang, Ge Ziyi.  (2025)  Lattice stabilization and strain homogenization in Sn-Pb bottom subcells enable stable all-perovskite tandems solar cells.  Nature Communications,  16  (1): (1-15).  [PMID:40783558] [10.1038/s41467-025-62661-6]