1-Propanesulfonic acid

Base Information

• Chemical Name: 1-Propanesulfonic acid
• CAS No.: 5284-66-2
• Molecular Formula: C3H8O3S
• Molecular Weight: 124.161
• Hs Code.: 29041000
• European Community (EC) Number: 226-114-2
• NSC Number: 87882
• DSSTox Substance ID: DTXSID0051231
• Nikkaji Number: J297.977B
• Wikidata: Q10395553
• ChEMBL ID: CHEMBL1741924
• Mol file: 5284-66-2.mol

Synonyms:ammonium propanesulfonate;propanesulfonate;propylsulfonic acid

Chemical Property of 1-Propanesulfonic acid

Chemical Property:

• Appearance/Colour: clear brown to dark brown liquid
• Melting Point: 8 ºC
• Refractive Index: n20/D 1.44
• Boiling Point: 200.95°C (rough estimate)
• PKA: 1.92±0.50(Predicted)
• PSA: 62.75000
• Density: 1.25
• LogP: 1.36500
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 124.01941529
• Heavy Atom Count: 7
• Complexity: 118

Purity/Quality:

95% ^*data from raw suppliers

1-Propanesulfonic acid technical, ≥99.0% (T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 14-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCS(=O)(=O)O

Technology Process of 1-Propanesulfonic acid

There total 21 articles about 1-Propanesulfonic 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: 90.0%

Dipropyl disulfide (629-19-6) → propanesulfonic acid (5284-66-2)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In acetonitrile; at 20 ℃; for 0.0166667h;

DOI:10.1016/j.tetlet.2009.09.011

Reference yield: 74.0%

1-thiopropane (107-03-9) → propane-1-sulfinic acid (55109-28-9) + propanesulfonic acid (5284-66-2)

Guidance literature:

With 3,3-dimethyldioxirane; In dichloromethane; at -40 ℃;

DOI:10.1016/S0040-4039(00)60059-X

Reference yield: 47.0%

1-thiopropane (107-03-9) → propanesulfonic acid (5284-66-2)

Guidance literature:

With hydrogen iodide; dimethyl sulfoxide; In water;

upstream raw materials:

1-thiopropane

propene

1-Chloropropane

propyl bromide

Downstream raw materials:

n-propanesulfonyl chloride

Dipropyl disulfide

Methyl propansulfonat

C₃H₈O₃S*C₂₂H₂₃ClF₂N₄O₅

Refernces

• 1、 Papastergiou,Perontsis,Gritzapis,Koumbis,Koffa,Psomas,Fylaktakidou. "Evaluation of O-alkyl and aryl sulfonyl aromatic and heteroaromatic amidoximes as novel potent DNA photo-cleavers". . p. 351 - 360. Retrieved 2016/03/22.
• 2、 Ballistreri, Francesco P.,Tomaselli, Gaetano A.,Toscano, Rosa M.. "Selective oxidation reactions of diaryl- and dialkyldisulfides to sulfonic acids by CH3ReO3/hydrogen peroxide". experimental part. p. 6231 - 6232. Retrieved 2010/01/11.