Carbonyl sulfide

Base Information

• Chemical Name: Carbonyl sulfide
• CAS No.: 463-58-1
• Deprecated CAS: 20684-88-2
• Molecular Formula: CO S
• Molecular Weight: 60.0764
• Hs Code.: 2930909090
• European Community (EC) Number: 207-340-0
• UN Number: 2204
• UNII: 871UI0ET21
• DSSTox Substance ID: DTXSID6023949
• Nikkaji Number: J2.591G
• Wikipedia: Carbonyl sulfide,Carbonyl_sulfide
• Wikidata: Q412371
• Metabolomics Workbench ID: 50551
• Mol file: 463-58-1.mol

Synonyms:carbon oxysulfide;carbonyl sulfide

Chemical Property of Carbonyl sulfide

Chemical Property:

• Appearance/Colour: colourless gas with an unpleasant smell; cylinderwill be marked with red/yellow bands at valve end to denote contentsare both flammable and toxic
• Vapor Pressure: 9090mmHg at 25°C
• Melting Point: -139 C
• Boiling Point: 46.2°Cat760mmHg
• Flash Point: °C
• PSA: 49.16000
• Density: 1.259g/cm³
• LogP: 0.25110
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 59.96698579
• Heavy Atom Count: 3
• Complexity: 27.8
• Transport DOT Label: Poison Gas Flammable Gas

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): Narcotic in high concentrations. Flammable, explosive limits in air 12–28.5%.
• Hazard Codes: Narcotic in high concentrations. Flammable, explosive limits in air 12–28.5%.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: C(=O)=S
• Use Description: Carbonyl sulfide, a chemical compound with the formula COS, has several applications in different fields. In the industrial sector, it is employed as a chemical intermediate in the production of various organic compounds, including pesticides, pharmaceuticals, and chemicals used in the rubber and plastic industries. In agriculture, COS is used as a fumigant to control pests and preserve stored grains, offering an effective means of pest management. Additionally, in atmospheric and environmental research, carbonyl sulfide is studied as a tracer gas for understanding the carbon and sulfur cycles in the atmosphere, aiding in climate research and the monitoring of global carbon dioxide levels. Its diverse uses highlight its importance in chemical manufacturing, agriculture, and scientific research, contributing to various practical applications and scientific advancements.

Technology Process of Carbonyl sulfide

There total 414 articles about Carbonyl sulfide 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: 50.0%

4-allylthio-3,3,4-triphenyl-2-thietanone (73388-91-7) → carbon oxide sulfide (463-58-1) + methyl dithiobenzoate (2168-78-7) + 1-allylthio-1,1,2-triphenylethylene (86931-20-6) + diphenyl ketene (525-06-4)

Guidance literature:

at 170 ℃; for 1.5h;

Reference yield: 50.0%

4-allylthio-3,3,4-triphenyl-2-thietanone (73388-91-7) → carbon oxide sulfide (463-58-1) + allyl dithiobenzoate (27249-64-5) + 1-allylthio-1,1,2-triphenylethylene (86931-20-6) + diphenyl ketene (525-06-4)

Guidance literature:

at 170 ℃; for 1.5h;

Reference yield: 34.0%

4-methylthio-3,3,4-triphenyl-2-thietanone (73388-90-6) → carbon oxide sulfide (463-58-1) + methyl dithiobenzoate (2168-78-7) + 1-methylthio-1,1,2-triphenylethylene (86931-21-7) + diphenyl ketene (525-06-4)

Guidance literature:

at 170 ℃; for 1.5h;

upstream raw materials:

pyridine

(Propoxy)thiocarbonylchlorid

acetamide

carbon disulfide

Downstream raw materials:

4-ethyl-5-imino-thiazolidin-2-one

diethylbarbituric acid

5,5-dipropylbarbituric acid

3-ethylpentan-3-ol

Refernces

COBALT CARBONYL CATALYZED REACTIONS OF DISULFIDES: CARBONYLATION TO THIOESTERS AND DESULFURIZATION TO SULFIDES.

10.1016/S0040-4039(00)98115-2

The research focused on the catalytic reactions of disulfides using cobalt carbonyl, aiming to investigate the desulfurization and carbonylation of organic sulfur compounds. The study concluded that aromatic and benzylic disulfides react with carbon monoxide and a catalytic amount of cobalt carbonyl to produce thioesters and carbonyl sulfide. In the presence of t-butyl peroxide, high yields of sulfides were obtained. Key chemicals used in the process included cobalt carbonyl (Co2(CO)8), carbon monoxide (CO), and disulfides such as benzyl disulfide and phenyl disulfide, along with solvents like aqueous ethanol and benzene. The reactions resulted in the formation of thioesters and sulfides through a series of steps involving the formation of cobalt complexes and the insertion of carbon monoxide.

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