Sulfoacetic acid

Base Information

• Chemical Name: Sulfoacetic acid
• CAS No.: 123-43-3
• Deprecated CAS: 44656-61-3
• Molecular Formula: C2H4 O5 S
• Molecular Weight: 140.117
• Hs Code.: 2915900090
• European Community (EC) Number: 204-627-2
• UNII: Y4XC05H603
• DSSTox Substance ID: DTXSID8059556
• Nikkaji Number: J21.744A
• Wikidata: Q27104770
• Metabolomics Workbench ID: 52548
• Mol file: 123-43-3.mol

Synonyms:SULFOACETIC ACID;2-sulfoacetic acid;123-43-3;Acetic acid, sulfo-;Sulfoethanoic acid;Sulphoacetic acid;Acetic acid, 2-sulfo-;Sulfoacetate;Kyselina sulfooctova;Kyselina sulfooctova [Czech];HSDB 2706;EINECS 204-627-2;BRN 1764390;UNII-Y4XC05H603;AI3-28536;Y4XC05H603;Disodium sulfonoacetate;4-04-00-00102 (Beilstein Handbook Reference);SAT;NSC19191;Sulfoessigsaure;Sulfonoacetate;C2H4O5S;2-sulfoaceticacid;bmse000632;SCHEMBL71944;DTXSID8059556;CHEBI:50519;2-SULFOACETIC ACID [MI];Sulfoacetic acid, technical grade;C2-H4-O5-S;STR10351;AKOS006223972;FT-0601929;A805074;J-004940;Q27104770

Chemical Property of Sulfoacetic acid

Chemical Property:

• Vapor Pressure: 0.001Pa at 25℃
• Melting Point: 81-88 °C(lit.)
• Refractive Index: 1.536
• Boiling Point: °Cat760mmHg
• PKA: pK2:4.0 (25°C)
• Flash Point: °C
• PSA: 100.05000
• Density: 1.875g/cm³
• LogP: 0.03960
• Water Solubility.: 103.7g/L at 25℃
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 139.97794440
• Heavy Atom Count: 8
• Complexity: 171

Purity/Quality:

99.9% ^*data from raw suppliers

Sulfoacetic acid technical grade ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(C(=O)O)S(=O)(=O)O
• Recent ClinicalTrials: Proper Duration of Suppressive Antibiotic Therapy After Debridement, Antibiotics, and Implant Retention
• Uses: Sulfoacetic acid was used in the synthesis of ethyl ester by esterification in refluxing ethanol.

Technology Process of Sulfoacetic acid

There total 74 articles about Sulfoacetic 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:

allophanoyl-methanesulfonic acid (781559-37-3) → sulfoacetic acid (123-43-3) + urea (57-13-6)

Guidance literature:

Reference yield:

methane (34557-54-5,27936-85-2) → methanol (67-56-1) + methanesulfonic acid (75-75-2,98527-29-8) + methyl bisulfate (75-93-4) + sulfoacetic acid (123-43-3) + methanedisulfonic acid (503-40-2) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With sulfuric acid; oxygen; palladium(II) sulfate; at 160 - 180 ℃; for 4h; Conversion of starting material;

Reference yield:

3,5-dimethyl-1H-pyrazole (67-51-6) + acetic anhydride (108-24-7) → 3,5-dimethylpyrazole-4-sulfonic acid (89280-34-2) + sulfoacetic acid (123-43-3) + methanedisulfonic acid (503-40-2)

Guidance literature:

With sulfuric acid; acetic acid; at 20 ℃; Reflux;

DOI:10.1016/j.ica.2011.12.022

upstream raw materials:

thirane

acetamide

tetrachloromethane

acetoxysulfonic acid

Downstream raw materials:

methanedisulfonic acid

formaldehyd

ethane-1,2-disulphonic acid

chlorosulfonylacetyl chloride

Refernces

• 1、 Murray,Kenyon. "-". . p. 1230,1232. Retrieved 1940.
• 2、 Stoner,Dougherty. "". . p. 1291,1292. Retrieved 1941.
• 3、 Amorisco, Apollonia,Locaputo, Vito,Pastore, Carlo,Mascolo, Giuseppe. "Identification of low molecular weight organic acids by ion chromatography/hybrid quadrupole time-of-flight mass spectrometry during Uniblu-A ozonation". . p. 187 - 199. Retrieved 2013/02/23.