Dihidrato de 4-hidroxibencenosulfonato de sodio - ≥98%(HPLC)(T) , CAS No.10580-19-5

CAS: 10580-19-5 Cat. No.: S161115 Peso molecular: 232.18 Beilstein Registry Number: 3803250 Número EC: 678-807-8 PubChem CID: 23666329

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

Sodium4-hydroxybenzenesulfonatedihydrate | AS-81438 | sodium 4-hydroxybenzene-1-sulfonate dihydrate | SULPHOCARBOLATE SODIUM | 3-Pyridinecarboxylic acid, {2-[(3-chloro-2-methylphenyl)amino]-} | Phenolsulphonate sodium [USP] | Sodium 4-hydroxybenzenesulfon

Storage

Room temperature

Shipped In

Normal

Descripción general

El 4-hidroxibencenosulfonato de sodio dihidratado se ha utilizado en la preparación de: . series de benzenesulfonatos de metales de transición divalentes en capas . polímeros de coordinación de lantánidos luminiscentes en forma de escalera de 4-hidroxibencenosulfonato . nuevos ionómeros de polinorborneno con grupos benzenesulfonato colgantes fluorados

Specifications

Sinónimos

Sodium4-hydroxybenzenesulfonatedihydrate | AS-81438 | sodium 4-hydroxybenzene-1-sulfonate dihydrate | SULPHOCARBOLATE SODIUM | 3-Pyridinecarboxylic acid, {2-[(3-chloro-2-methylphenyl)amino]-} | Phenolsulphonate sodium [USP] | Sodium 4-hydroxybenzenesulfon

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1O)S(=O)(=O)[O-].O.O.[Na+]
• IUPAC Name: sodium;4-hydroxybenzenesulfonate;dihydrate
• InChIKey: SXONATFNYJWFNK-UHFFFAOYSA-M
• INCHI: 1S/C6H6O4S.Na.2H2O/c7-5-1-3-6(4-2-5)11(8,9)10;;;/h1-4,7H,(H,8,9,10);;2*1H2/q;+1;;/p-1
• Isómeros SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].O.O.[Na+]
• WGK Alemania: 3
• PubChem CID: 23666329
• Peso molecular: 232.18
• Beilstein: 3803250
• Reaxy-Rn: 4040891

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 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic salt - Organic sodium salt - Organic cation - 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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 232.190 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 232.002 Da
• Monoisotopic Mass: 232.002 Da
• Topological Polar Surface Area: 87.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 212.000
• 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

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