Poly(4-styrenesulfonic acid) solution (PSS) - Mw ~70000, 30wt. % in H2O , CAS No.28210-41-5

CAS: 28210-41-5 Cat. No.: P169249 Número EC: 639-922-9

GRADE & PURITY Mw ~70000, 30wt. % in H2O

Synonyms

PSS | 4-vinylbenzenesulfonic acid | MAGFQRLKWCCTQJ-UHFFFAOYSA-N | p-Vinylbenzenesulfonic acid | DTXSID5045045 | styrene-4-sulphonic acid | Q3395465 | 4-ethenylbenzenesulfonic acid | Benzenesulfonic acid, 4-ethenyl- | UNII-1D1822L42I | SCHEMBL25711 | 1D182

Storage

Protected from light,Room temperature

Shipped In

Normal

Descripción general

application：

Poly(styrene sulfonic acid) is used in water softening and to remove hard ions like calcium and magnesium. In the medical field, it is used as potassium binders in acute and chronic kidney disease. Its sodium salt is used as a superplastifier in cement, as a dye improving agent for cotton, as proton exchange membranes in fuel cell applications. It acts as a solid acid catalyst in organic synthesis. It is an antistatic resin used for electrographic and electrophotographic substrates.

Specifications

Sinónimos

PSS | 4-vinylbenzenesulfonic acid | MAGFQRLKWCCTQJ-UHFFFAOYSA-N | p-Vinylbenzenesulfonic acid | DTXSID5045045 | styrene-4-sulphonic acid | Q3395465 | 4-ethenylbenzenesulfonic acid | Benzenesulfonic acid, 4-ethenyl- | UNII-1D1822L42I | SCHEMBL25711 | 1D182

Especificaciones y pureza

Mw ~70000, 30wt. % in H2O

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 488185183
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185183
• Sonrisas canónicas: C=CC1=CC=C(C=C1)S(=O)(=O)O
• IUPAC Name: 4-ethenylbenzenesulfonic acid
• InChIKey: MAGFQRLKWCCTQJ-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H,9,10,11)
• Isómeros SMILES: C=CC1=CC=C(C=C1)S(=O)(=O)O

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Styrenes Sulfonyls Organosulfonic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Styrene - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with water, ethanol, methanol, lower alcohols and glycols.
• Peso molecular: 184.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.019 Da
• Monoisotopic Mass: 184.019 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 242.000
• 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: 1

Referencias

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