Sodium 4-Ethylbenzenesulfonate - ≥98%(HPLC)(T) , CAS No.14995-38-1

CAS: 14995-38-1 Cat. No.: S161150 Peso molecular: 208.21 Número EC: 239-080-9 PubChem CID: 23675352

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

Benzenesulfonic acid, 4-ethyl-, sodium salt (1:1) | Sodium p-ethylbenzenesulfonate | UNII-9CSE7E0H3W | SCHEMBL1563238 | MFCD00070568 | Q27272366 | sodium;4-ethylbenzenesulfonate | Benzenesulfonic acid, p-ethyl-, sodium salt | NSC-249835 | A884215 | Sodium

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzenesulfonic acid, 4-ethyl-, sodium salt (1:1) | Sodium p-ethylbenzenesulfonate | UNII-9CSE7E0H3W | SCHEMBL1563238 | MFCD00070568 | Q27272366 | sodium;4-ethylbenzenesulfonate | Benzenesulfonic acid, p-ethyl-, sodium salt | NSC-249835 | A884215 | Sodium

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 488200481
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200481
• Sonrisas canónicas: CCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;4-ethylbenzenesulfonate
• InChIKey: LLELGQVCQVOGMA-UHFFFAOYSA-M
• INCHI: 1S/C8H10O3S.Na/c1-2-7-3-5-8(6-4-7)12(9,10)11;/h3-6H,2H2,1H3,(H,9,10,11);/q;+1/p-1
• Isómeros SMILES: CCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
• PubChem CID: 23675352
• Peso molecular: 208.21
• Reaxy-Rn: 3751801

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 Organic cations
• 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 - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - 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

Propiedades químicas y físicas

• Peso molecular: 208.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.017 Da
• Monoisotopic Mass: 208.017 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 224.000
• 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

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