2-Oxopropane-1,3-disulphonic acid

Base Information

• Chemical Name: 2-Oxopropane-1,3-disulphonic acid
• CAS No.: 690-78-8
• Molecular Formula: C3H6 O7 S2
• Molecular Weight: 218.208
• Hs Code.: 2914190090
• European Community (EC) Number: 211-718-0
• UNII: 5B38KF5WZQ
• DSSTox Substance ID: DTXSID70219041
• Nikkaji Number: J57.762F
• Wikidata: Q83095933
• Mol file: 690-78-8.mol

Synonyms:2-Oxopropane-1,3-disulphonic acid;2-oxopropane-1,3-disulfonic acid;690-78-8;5B38KF5WZQ;EINECS 211-718-0;1,3-Propanedisulfonic acid, 2-oxo-;2-oxo-1,3-propanedisulfonic acid;Acetonedisulfonic acid;UNII-5B38KF5WZQ;C3H6O7S2;SCHEMBL4968468;DTXSID70219041;C3-H6-O7-S2;2-OXO-1,3-PROPANEDISULPHONIC ACID;1,3-PROPANEDISULPHONIC ACID, 2-OXO-

Chemical Property of 2-Oxopropane-1,3-disulphonic acid

Chemical Property:

• PSA: 142.57000
• Density: 1.943g/cm³
• LogP: 0.49270
• XLogP3: -2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 217.95549487
• Heavy Atom Count: 12
• Complexity: 312

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)CS(=O)(=O)O)S(=O)(=O)O

Technology Process of 2-Oxopropane-1,3-disulphonic acid

There total 2 articles about 2-Oxopropane-1,3-disulphonic 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:

acetone (67-64-1) → 2-oxo-1,3-propanedisulfonic acid (690-78-8)

Guidance literature:

With sulfuric acid; sulfur trioxide;

DOI:10.1021/jo01013a051

Reference yield:

1,3-Dichloroacetone (534-07-6) → 2-oxo-1,3-propanedisulfonic acid (690-78-8)

Guidance literature:

With sodium sulfite;

upstream raw materials:

1,3-Dichloroacetone

acetone