Sodium 4-Hydroxybenzenesulfonate - ≥98%(HPLC) , CAS No.825-90-1

CAS: 825-90-1 Cat. No.: P136738 Peso molecular: 196.15 Número EC: 212-550-0 PubChem CID: 4379756

GRADE & PURITY ≥98%(HPLC)

Synonyms

p-Hydroxybenzenesulfonic acid, monosodium salt | Sodium p-Phenolsulfonate | 4-hydroxybenzenesulfonate sodium salt | DTXCID307321 | NCGC00260109-01 | SCHEMBL125056 | EINECS 212-550-0 | Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1) | sodium 4-hydroxyb

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

p-Hydroxybenzenesulfonic acid, monosodium salt | Sodium p-Phenolsulfonate | 4-hydroxybenzenesulfonate sodium salt | DTXCID307321 | NCGC00260109-01 | SCHEMBL125056 | EINECS 212-550-0 | Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1) | sodium 4-hydroxyb

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504762992
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762992
• Sonrisas canónicas: C1=CC(=CC=C1O)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;4-hydroxybenzenesulfonate
• InChIKey: BYMHXIQVEAYSJD-UHFFFAOYSA-M
• INCHI: 1S/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1
• Isómeros SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].[Na+]
• PubChem CID: 4379756
• Peso molecular: 196.15
• 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
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Peso molecular: 196.160 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.981 Da
• Monoisotopic Mass: 195.981 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 12
• 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: 2

XLogP3

Referencias

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