1-hexanesulfonate monohydrate - for ion pair chromatography, ≥99% , CAS No.207300-91-2

CAS: 207300-91-2 Cat. No.: H189073 Peso molecular: 206.24 Número EC: 994-160-7

GRADE & PURITY for Ion pair chromatography, ≥99%

Synonyms

J-013562 | GS-5405 | Sodium1-hexanesulfonatemonohydrate | sodium;hexane-1-sulfonate;hydrate | MFCD00149549 | DTXSID80635692 | Sodium hexane-1-sulfonate--water (1/1/1) | 1-Hexanesulfonic acid sodium salt monohydrate | sodium hexane-1-sulfonate hydrate;Sodi

Storage

Room temperature

Shipped In

Normal

Descripción general

Sodium 1-pentanesulfonate monohydrate, also known as 1-Hexanesulfonic acid sodium salt monohydrate, is commonly used as a surfactant and a reversed-phase ion-pairing agent.

Applications

Sodium 1-hexanesulfonate monohydrate can be used as a catalyst for the synthesis of: Aminoalkylnaphthols from a three-component reaction of β-naphthol, aldehydes, and urea. Aminophosphonates are obtained from the reaction of aldehydes/ketones with amines. It can also be used as a reactant to prepare polynuclear bismuth oxide sulfonates via the reaction of sodium 2-methyl-2-propanesulfonate and tetra-μ3-hydroxyhexyl(nitro-κO)tetra-μ3-oxohexyl in DMSO.

Specifications

Sinónimos

J-013562 | GS-5405 | Sodium1-hexanesulfonatemonohydrate | sodium;hexane-1-sulfonate;hydrate | MFCD00149549 | DTXSID80635692 | Sodium hexane-1-sulfonate--water (1/1/1) | 1-Hexanesulfonic acid sodium salt monohydrate | sodium hexane-1-sulfonate hydrate;Sodi

Especificaciones y pureza

for ion pair chromatography, ≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

for Ion pair chromatography

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504769693
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769693
• Sonrisas canónicas: CCCCCCS(=O)(=O)[O-].O.[Na+]
• IUPAC Name: sodium;hexane-1-sulfonate;hydrate
• InChIKey: CLCGFJYKZGFGSQ-UHFFFAOYSA-M
• INCHI: 1S/C6H14O3S.Na.H2O/c1-2-3-4-5-6-10(7,8)9;;/h2-6H2,1H3,(H,7,8,9);;1H2/q;+1;/p-1
• Isómeros SMILES: CCCCCCS(=O)(=O)[O-].O.[Na+]
• WGK Alemania: 3
• Peso molecular: 206.24
• Reaxy-Rn: 31666582
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31666582&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: Slightly soluble in water
• Peso molecular: 206.240 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 206.059 Da
• Monoisotopic Mass: 206.059 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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

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