1-Pyrenesulfonic acid sodium salt - for fluorescence analysis, ≥97%(HPLC) , CAS No.59323-54-5

CAS: 59323-54-5 Cat. No.: P131259 Molecular Weight: 304.3 Beilstein Registry Number: 3659537 EC Number: 261-698-2

GRADE & PURITY for Fluorescence analysis, ≥97%(HPLC)

Synonyms

pyrene-1-sulfonic acid sodium salt | MFCD00210088 | YSZC3281 | AS-61769 | sodium;pyrene-1-sulfonate | AKOS015893947 | E78565 | Sodium 1-pyrenesulfonate | DTXSID60208060 | HY-W127714 | sodiumpyrene-1-sulfonate | A832999 | Sodium pyrene-1-sulphonate | SCHEM

Storage

Room temperature

Shipped In

Normal

Overview

Fluorescent Water Soluble Probe

Specifications

Synonyms

pyrene-1-sulfonic acid sodium salt | MFCD00210088 | YSZC3281 | AS-61769 | sodium;pyrene-1-sulfonate | AKOS015893947 | E78565 | Sodium 1-pyrenesulfonate | DTXSID60208060 | HY-W127714 | sodiumpyrene-1-sulfonate | A832999 | Sodium pyrene-1-sulphonate | SCHEM

Specifications & Purity

for fluorescence analysis, ≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Grade

for Fluorescence analysis

Purity

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 504769593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769593
• Canonical Smiles: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;pyrene-1-sulfonate
• InChIKey: HCOPYCNNZOWMTD-UHFFFAOYSA-M
• INCHI: 1S/C16H10O3S.Na/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;/h1-9H,(H,17,18,19);/q;+1/p-1
• Isomeric SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-].[Na+]
• Molecular Weight: 304.3
• Beilstein: 3659537
• Reaxy-Rn: 3659537
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3659537&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives 2-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 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 Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene - 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 - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic sodium salt - Organic salt - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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: suitable for fluorescence
• Melt Point(°C): 233-236°C
• Molecular Weight: 304.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 304.017 Da
• Monoisotopic Mass: 304.017 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 486.000
• 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

XLogP3

References

1. Qiannan Duan, Hailong Zhang, Jiaqing Tang, Xinyi Xie, Yi Tan, Heyun Fu, Lehan Sun, Liang Yan, Duo Yun, Xiaolei Qu.  (2026)  Fluorescence Machine Vision-Based Rapid Quantitative Characterization of Microplastics.  ANALYTICAL CHEMISTRY,      [PMID:] [10.1021/acs.analchem.6c00407]