Sodium 1-octanesulfonate - for ion pair chromatography, ≥99% , CAS No.5324-84-5

CAS: 5324-84-5 Cat. No.: S108927 Molecular Weight: 216.27 Beilstein Registry Number: 3574241 EC Number: 226-195-4

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

UNII-J46EZ5JYB3 | W-105760 | BCP22519 | DTXSID2027595 | WITCONATE NAS-FAL | J46EZ5JYB3 | Sodium octane-1-sulfonate;Sodium 1-octanesulfonate | sodium n-octanesulfonate | 1-Octanesulfonic acid sodium salt, for HPLC, >=99% | 1-Octanesulfonic acid, sodium sal

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

Octane-1-sulfonic acid sodium salt is a commonly used ion-pair reagent in ion-pair chromatography. ​Adding octane-1-sulfonic acid sodium salt to the mobile phase in chromatography can help enhance chromatographic separation by modifying the polarity gap between analytes.
Application：
Octane-1-sulfonicacid sodium salt can be used as a mobile phase component in Reverse-PhaseHigh-Performance Liquid Chromatography (RP-HPLC) to facilitate the separation and quantification of amisulpride in the pharmaceutical tablet formulation.

Specifications

Synonyms

UNII-J46EZ5JYB3 | W-105760 | BCP22519 | DTXSID2027595 | WITCONATE NAS-FAL | J46EZ5JYB3 | Sodium octane-1-sulfonate;Sodium 1-octanesulfonate | sodium n-octanesulfonate | 1-Octanesulfonic acid sodium salt, for HPLC, >=99% | 1-Octanesulfonic acid, sodium sal

Specifications & Purity

for ion pair chromatography, ≥99%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Grade

for Ion pair chromatography

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504769566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769566
• Canonical Smiles: CCCCCCCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;octane-1-sulfonate
• InChIKey: HRQDCDQDOPSGBR-UHFFFAOYSA-M
• INCHI: 1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
• Isomeric SMILES: CCCCCCCCS(=O)(=O)[O-].[Na+]
• WGK Germany: 3
• Alternate CAS: 3944-72-7
• Molecular Weight: 216.27
• Beilstein: 3574241
• Reaxy-Rn: 3574241
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3574241&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• 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 - Aliphatic acyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (216 mg/ml).
• Sensitivity: Light & Moisture sensitive
• Melt Point(°C): 300°C
• Molecular Weight: 216.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 216.08 Da
• Monoisotopic Mass: 216.08 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 13
• 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: 2

XLogP3

References

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