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

CAS: 59323-54-5 Cat. No.: P131259 Peso molecular: 304.3 Beilstein Registry Number: 3659537 Número EC: 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

Descripción general

Fluorescent Water Soluble Probe

Specifications

Sinónimos

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

Especificaciones y pureza

for fluorescence analysis, ≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

for Fluorescence analysis

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504769593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769593
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-].[Na+]
• Peso molecular: 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
    • Clase Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: suitable for fluorescence
• Punto de fusión (°C): 233-236°C
• Peso molecular: 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

Referencias

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]