1-Octanesulfonic acid sodium salt monohydrate - ≥98% , CAS No.207596-29-0

CAS: 207596-29-0 Cat. No.: O182675 Peso molecular: 234.29 Beilstein Registry Number: 3574240 Número EC: 695-274-7

GRADE & PURITY ≥98%

Synonyms

1-OCTANESULFONIC ACID, SODIUM SALT, MONOHYDRATE | Sodium Octane-1-sulfonate Hydrate | Sodium 1-octanesulfonate monohydrate | sodium;octane-1-sulfonate;hydrate | MFCD00149551 | 1-Octanesulfonic acid sodium salt monohydrate | sodium hydrate octane-1-sulfona

Storage

Room temperature

Shipped In

Normal

Descripción general

Sodium 1-octanesulfonate monohydrate (NaOS) is an ion-pairing reagent

Application

Sodium 1-octanesulfonate monohydrate is used as an anionic detergent. It is an ion pairing reagent used in the HPLC analysis of proteins and peptides. Further, it is used as a surface active agent.

Specifications

Sinónimos

1-OCTANESULFONIC ACID, SODIUM SALT, MONOHYDRATE | Sodium Octane-1-sulfonate Hydrate | Sodium 1-octanesulfonate monohydrate | sodium;octane-1-sulfonate;hydrate | MFCD00149551 | 1-Octanesulfonic acid sodium salt monohydrate | sodium hydrate octane-1-sulfona

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200424
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200424
• Sonrisas canónicas: CCCCCCCCS(=O)(=O)[O-].O.[Na+]
• IUPAC Name: sodium;octane-1-sulfonate;hydrate
• InChIKey: MBURIAHQXJQKRE-UHFFFAOYSA-M
• INCHI: 1S/C8H18O3S.Na.H2O/c1-2-3-4-5-6-7-8-12(9,10)11;;/h2-8H2,1H3,(H,9,10,11);;1H2/q;+1;/p-1
• Isómeros SMILES: CCCCCCCCS(=O)(=O)[O-].O.[Na+]
• WGK Alemania: 3
• Peso molecular: 234.29
• Beilstein: 3574240
• Reaxy-Rn: 30312007
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30312007&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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): ≥300 °C
• Peso molecular: 234.290 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 234.09 Da
• Monoisotopic Mass: 234.09 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 184.000
• 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: 3

XLogP3