Sodium benzenesulfonate - ≥97% , CAS No.515-42-4

CAS: 515-42-4 Cat. No.: S108361 Peso molecular: 180.16 Beilstein Registry Number: 3918459 Número EC: 208-198-2 PubChem CID: 517327

GRADE & PURITY ≥97%

Synonyms

Dispersant GN | DTXSID4060157 | Sodium benzene sulfonate | MFCD00065179 | sodium;benzenesulfonate | SUPRAGIL GN | CCRIS 3269 | BENZENESULPHONICACID,SODIUMSALT | (2S,4R)-1-tert-butoxycarbonyl-4-fluoro-pyrrolidine-2-carboxylic acid | MZSDGDXXBZSFTG-UHFFFAOY

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Sodium benzenesulfonate has been used in Raman spectroscopic determination of molecular structural features in sulfonated polystyrene resins. It was used as electrolyte in formation of polypyrrole coatings with varying surface morphology on stainless steel. It was used in the synthesis of 1-butyl-3-propanenitrile imidazolium benzenesulfonate.

Specifications

Sinónimos

Dispersant GN | DTXSID4060157 | Sodium benzene sulfonate | MFCD00065179 | sodium;benzenesulfonate | SUPRAGIL GN | CCRIS 3269 | BENZENESULPHONICACID, SODIUMSALT | (2S, 4R)-1-tert-butoxycarbonyl-4-fluoro-pyrrolidine-2-carboxylic acid | MZSDGDXXBZSFTG-UHFFFAOY

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488189971
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189971
• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;benzenesulfonate
• InChIKey: MZSDGDXXBZSFTG-UHFFFAOYSA-M
• INCHI: 1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• RTECS: DB7350000
• PubChem CID: 517327
• Peso molecular: 180.16
• Beilstein: 3918459
• Reaxy-Rn: 3918459

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 Sulfonyls Organosulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic oxide - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic sodium salt - 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: Slightly soluble in alcohol；Soluble in water
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 450°C
• Peso molecular: 180.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 179.986 Da
• Monoisotopic Mass: 179.986 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 188.000
• 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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2. Han Jia, Juan He, Yingbiao Xu, Tingyi Wang, Lingyu Zhang, Bowen Wang, Xincan Jiang, Xu Li, Xingyuan Zhang, Kaihe Lv.  (2022)  Synergistic effects of AlOOH and sodium benzenesulfonate on the generation of Pickering emulsions and their application for enhanced oil recovery.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.128333]

3. Feng Zhang, Dong-Sheng Wang, Fan Yang, Tian-Yu Li, Hong-Yan Li, Jian-Guo Cui.  (2021)  Effect of Sodium Benzenesulfonate on SO42− Removal from Water by Polypyrrole-Modified Activated Carbon.  Advances in Materials Science and Engineering,      [PMID:] [10.1155/2021/1442506]

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