peroxomonosulphuric acid

Base Information

• Chemical Name: peroxomonosulphuric acid
• CAS No.: 7722-86-3
• Molecular Formula: H2O5S
• Molecular Weight: 114.079
• European Community (EC) Number: 231-766-6,931-277-4
• DSSTox Substance ID: DTXSID90884417
• Nikkaji Number: J74.700I
• Wikipedia: Peroxymonosulfuric_acid
• Wikidata: Q408929,Q27110333
• Mol file: 7722-86-3.mol

Synonyms:Peroxomonosulphuric acid;

Chemical Property of peroxomonosulphuric acid

Chemical Property:

• Melting Point: 45, decomposing [HAW93]
• PKA: pK2 of Caros acid 9.4 ± 0.1(at 25℃)
• PSA: 79.44000
• Density: 2.239g/cm³
• LogP: 0.13700
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 113.96229433
• Heavy Atom Count: 6
• Complexity: 100

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: OOS(=O)(=O)O
• Physical properties: White crystalline solid; unstable, decomposes at 45°C; commercial product is a syrupy liquid containing equal parts of Caro’s acid and sulfuric acid; stored at dry ice temperature; very soluble in water.
• Uses: peroxomonosulphuric acid (Caro's acid) is used in the preparation of dyes and bleaching agents. It also is used as a strong oxidizing reagent to convert ketones to lactones, to convert olefins to glycols and esters, and to analyse pyridine, aniline and many alkaloids. In preparation of dyes; oxidation of olefins to a-glycols; oxidation of ketones to lactones or esters; treating woolens to prevent felting and shrinking; in bleaching compositions. Peroxymonosulfuric acid is used as an oxidizingagent to make glycols, lactones, and esters; formaking dyes; and in bleaching composition.

Technology Process of peroxomonosulphuric acid

There total 43 articles about peroxomonosulphuric 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: 93.5%

sulfuric acid monohydrate (50981-12-9,10193-30-3) + ammonium sulfate-hydrogen peroxide(1/1) → caro's acid (7722-86-3) + dihydrogen peroxide (7722-84-1) + Marshall's acid (13445-49-3)

Guidance literature:

without water, -10°C;

Reference yield: 62.9%

sulfur trioxide (7446-11-9) + dihydrogen peroxide (7722-84-1) → caro's acid (7722-86-3)

Guidance literature:

With H₂SO₄; In neat (no solvent); 87.3% H2O2 added to 65% oleum at 0-10°C within 1 h; crystals isolated by slow cooling to -20°C for 24 h;

Reference yield: 1.0%

sulphurous acid (7782-99-2) → caro's acid (7722-86-3) + Marshall's acid (13445-49-3)

Guidance literature:

With ozone; In water;

upstream raw materials:

sulfur trioxide

water

dihydrogen peroxide

sulfuric acid

Downstream raw materials:

fluoromalonic acid diethyl ester

ozone

bromine

Marshall's acid

Refernces

Facile Synthesis of Ethyl 3,3-Difluoroacrylate from Dibromodifluoromethane and Diels-Alder Cycloaddition with Furan

10.1021/jo00378a028

The research focuses on the synthesis of ethyl 3,3-difluoroacrylate (6) and its subsequent Diels-Alder reaction with furan to produce difluorocyclohexadienol derivatives. The purpose of this study was to develop an efficient method for synthesizing ethyl 3,3-difluoroacrylate, a compound of interest for its potential to introduce fluorine atoms into organic molecules, and to explore its reactivity in the Diels-Alder reaction. The researchers successfully developed a synthesis route with an overall yield of 36%, starting from ethyl vinyl ether and dibromodifluoromethane. Key chemicals used in the process include ethyl vinyl ether, dibromodifluoromethane, ethanol, Caro's acid, m-chloroperoxybenzoic acid, and triethylamine. The study concluded that ethyl 3,3-difluoroacrylate is more reactive than methyl acrylate and that the Diels-Alder reaction with furan, although accompanied by decomposition, yielded a mixture of epimers, demonstrating the potential of this approach for synthesizing complex molecules with fluorine substitution.