Ethanesulfonic acid - ≥90% , CAS No.594-45-6

CAS: 594-45-6 Cat. No.: E113372 Formula: C₂H₆O₃S Molecular Weight: 110.13 Beilstein Registry Number: 1743071 EC Number: 209-843-0

GRADE & PURITY ≥90%

Synonyms

ethane sulfonic acid | 2-ethanesulfonic acid | A917850 | DTXSID5060487 | 599310E3U2 | Ethylsulfonic Acid | Ethanesulfonic acid 70% water | methylmethane sulfonic acid | AS-17305 | SCHEMBL1904 | W-105320 | Ethanesulphonic acid | 1-ethanesulfonic acid | Eth

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

thanesulfonic acid participates in electrolytic reduction of perrhenate solutions

Specifications

Synonyms

ethane sulfonic acid | 2-ethanesulfonic acid | A917850 | DTXSID5060487 | 599310E3U2 | Ethylsulfonic Acid | Ethanesulfonic acid 70% water | methylmethane sulfonic acid | AS-17305 | SCHEMBL1904 | W-105320 | Ethanesulphonic acid | 1-ethanesulfonic acid | Eth

Specifications & Purity

≥90%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥90%

Names and Identifiers

Pubchem Sid

508811840

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811840

Canonical Smiles

CCS(=O)(=O)O

IUPAC Name

ethanesulfonic acid

InChIKey

CCIVGXIOQKPBKL-UHFFFAOYSA-N

INCHI

1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)

Isomeric SMILES

CCS(=O)(=O)O

WGK Germany

3

UN Number

1760

Molecular Weight

110.13

Beilstein

1743071

Reaxy-Rn

1743071

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743071&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 oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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: alkanesulfonic acid

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

Chemical and Physical Properties

• Solubility: Miscible with water.
• Sensitivity: Hygroscopic
• Refractive Index: 1.434
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 123°C
• Melt Point(°C): -17°C
• Molecular Weight: 110.130 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 110.004 Da
• Monoisotopic Mass: 110.004 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 105.000
• 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: 1