2-Hydroxyethanesulfonic acid

Base Information

• Chemical Name: 2-Hydroxyethanesulfonic acid
• CAS No.: 107-36-8
• Deprecated CAS: 51694-03-2,2087491-52-7
• Molecular Formula: C2H6O4S
• Molecular Weight: 126.133
• Hs Code.: 2905590090
• European Community (EC) Number: 203-484-3
• NSC Number: 60516
• UNII: 97J3QN9884
• DSSTox Substance ID: DTXSID1041427
• Nikkaji Number: J5.057A
• Wikipedia: Isethionic_acid,Sodium_2-hydroxyethyl_sulfonate
• Wikidata: Q339734
• Metabolomics Workbench ID: 38409
• Mol file: 107-36-8.mol

Synonyms:Acid, Hydroxyethylsulfonic;Acid, Isethionic;Hydroxyethylsulfonic Acid;Isethionate, Sodium;Isethionic Acid;Isethionic Acid Monoammonium Salt;Isethionic Acid Monopotassium Salt;Isethionic Acid Monosodium Salt;Sodium Isethionate

Chemical Property of 2-Hydroxyethanesulfonic acid

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 191-194oC
• Refractive Index: 1.505
• Boiling Point: 100oC
• PKA: 1.39±0.50(Predicted)
• PSA: 85.81000
• Density: 1.625 g/cm³
• LogP: -0.39530
• Storage Temp.: 2-8°C
• Solubility.: Methanol (Slightly), Water (Soluble)
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 125.99867984
• Heavy Atom Count: 7
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

2-HydroxyethanesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CS(=O)(=O)O)O
• Uses: 2-Hydroxyethanesulfonic Acid is a reactant in the synthesis of 4-substituted-2,3,5,6-tetrafluorobenezenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Detergents, surfactants, synthesis.

Technology Process of 2-Hydroxyethanesulfonic acid

There total 38 articles about 2-Hydroxyethanesulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

sodium N-nitrosotaurocholate (76757-84-1) → 2-hydroxyethanesulfonic acid (107-36-8) + cholic acid (81-25-4)

Guidance literature:

With water; at 37 ℃; Rate constant; Mechanism; pH 7.0 - 9.0;

DOI:10.1021/jo00323a023

Reference yield: 91.1%

sodium 2-hydroxyethanesulfonate (1562-00-1) → 2-hydroxyethanesulfonic acid (107-36-8)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; at 20 - 50 ℃;

Reference yield: 90.0%

vinylsulfonyl chloride (6608-47-5) → ethenesulfonic acid (1184-84-5,26101-52-0) + 2-hydroxyethanesulfonic acid (107-36-8)

Guidance literature:

With potassium chloride; water; In 1,2-dimethoxyethane; at 25 ℃; Kinetics; Thermodynamic data; Product distribution; pH=10.5 and 10.8, ΔH(excit.), ΔS(excit.);

DOI:10.1139/v84-339

upstream raw materials:

oxirane

diethyl sulfate

diethyl ether

ethanol

Downstream raw materials:

carbyl sulfate

sulfoacetic acid

2-Chloroethanesulfonyl chloride

6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one isethionate

Refernces

• 1、 Wooton,Lloyd. "". . p. 2112. Retrieved 1974.
• 2、 -. "CRYSTALLINE SOLID FORMS OF SALTS OF N-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL) OXY]PHENYL}-N'-(4-FLUORPHENYL) CYCLOPROPANE-1,1-DICARBOXAMIDE, PROCESSES FOR MAKING, AND METHODS OF USE". Paragraph 0372; 0373. . Retrieved 2018/12/13.
• 3、 -. "ISETHIONATE SALT OF A SELECTIVE CDK4 INHIBITOR". Page/Page column 24; 25. . Retrieved 2008/06/13.