Sodium Benzenesulfinate Dihydrate - ≥98% , CAS No.25932-11-0

CAS: 25932-11-0 Cat. No.: S131677 Peso molecular: 200.18 Beilstein Registry Number: 11,2 Número EC: 692-084-6 PubChem CID: 23681562

GRADE & PURITY ≥98%

Synonyms

Benzensulfinan sodny [Czech] | A877429 | PhSO2Na.2H2O | phenylsulfinic acid sodium salt dihydrate | C6H9NaO4S | SodiuM Benzenesulfinate Dihydrate | Benzenesulfinic acid, sodium salt, dihydrate | DTXSID10180600 | SodiuMBenzenesulfinateDihydrate | MFCD00149

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzensulfinan sodny [Czech] | A877429 | PhSO2Na.2H2O | phenylsulfinic acid sodium salt dihydrate | C6H9NaO4S | SodiuM Benzenesulfinate Dihydrate | Benzenesulfinic acid, sodium salt, dihydrate | DTXSID10180600 | SodiuMBenzenesulfinateDihydrate | MFCD00149

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)[O-].O.O.[Na+]
• IUPAC Name: sodium;benzenesulfinate;dihydrate
• InChIKey: MYXJYAIKMQJHIB-UHFFFAOYSA-M
• INCHI: 1S/C6H6O2S.Na.2H2O/c7-9(8)6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);;2*1H2/q;+1;;/p-1
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)[O-].O.O.[Na+]
• RTECS: DA9135000
• CAS alternativo: 873-55-2
• PubChem CID: 23681562
• Peso molecular: 200.18
• Beilstein: 11,2
• Reaxy-Rn: 3598405

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Sulfinic acids and derivatives Organosulfur compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Sulfinic acid derivative - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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
• Punto de fusión (°C): >310°C
• Peso molecular: 200.190 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 200.012 Da
• Monoisotopic Mass: 200.012 Da
• Topological Polar Surface Area: 61.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 112.000
• 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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