N-Methylperfluorooctanesulfonamidoethanol

Base Information

• Chemical Name: N-Methylperfluorooctanesulfonamidoethanol
• CAS No.: 24448-09-7
• Molecular Formula: C11H8 F17 N O3 S
• Molecular Weight: 557.228
• European Community (EC) Number: 246-262-1
• UNII: VE397DM7FD
• DSSTox Substance ID: DTXSID7027831
• Nikkaji Number: J27.716I
• Wikidata: Q81976245
• Mol file: 24448-09-7.mol

Synonyms:24448-09-7;N-Methylperfluorooctanesulfonamidoethanol;MeFOSE Alcohol;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide;EINECS 246-262-1;Heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctanesulphonamide;1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyl-;VE397DM7FD;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-(2-hydroxyethyl)-N-methyl-1-octanesulfonamide;N-Methyl-N-(2-hydroxyethyl)perfluorooctanesulfonamide;N-(2-Hydroxyethyl)-N-methylperfluorooctanesulfonamide;MeFOSE;NMeFOSE;N-Me-FOSE alcohol;UNII-VE397DM7FD;C11H8F17NO3S;SCHEMBL6338088;DTXSID7027831;N-methylperfluorooctane sulfamidoethanol;2-(N-methylperfluoro-1-octanesulfonamido)-ethanol;N-METHYL-N-ETHANOLPERFLUOROOCTANESULFONAMIDE;2-[Methyl(heptadecafluorooctylsulfonyl)amino]ethanol;N-(2-Hydroxyethyl)-N-methylperfluorooctanesulphonamide;N-METHYLPERFLUOROOCTANESULFONAMIDE ETHYL ALCOHOL;N-(2-Hydroxyethyl)-N-methylperfluorooctanesulfonamide 100 microg/mL in Methanol;1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7, 7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyl -

Chemical Property of N-Methylperfluorooctanesulfonamidoethanol

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 299.8°Cat760mmHg
• PKA: 14.11±0.10(Predicted)
• Flash Point: 135.1°C
• PSA: 65.99000
• Density: 1.694g/cm³
• LogP: 5.28800
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 10
• Exact Mass: 556.9953430
• Heavy Atom Count: 33
• Complexity: 813

Purity/Quality:

N-Methylperfluorooctanesulfonamidoethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: PFAS
• Canonical SMILES: CN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Uses: N-Methylperfluorooctanesulfonamidoethanol (>80%) is a derivative of Perfluorooctanesulfo?namide (FOSA) (P286245), which represents an important subgroup of the environmental contaminants known as perfluorinated compounds (PFCs).

Technology Process of N-Methylperfluorooctanesulfonamidoethanol

There total 5 articles about N-Methylperfluorooctanesulfonamidoethanol 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: 96.0%

N-methyl-1-(perfluorooctane)sulfonamide (31506-32-8) + 2-bromoethanol (540-51-2) → N-(2-hydroxyethyl)-N-methyl-perfluorooctane-1-sulfonamide (24448-09-7)

Guidance literature:

With potassium carbonate; sodium iodide; In acetone; for 48h; Heating;

DOI:10.1016/j.jfluchem.2007.01.013

Reference yield: 65.0%

2-(N-methyl-perfluorooctylsulfonamido)ethyl acetate → N-(2-hydroxyethyl)-N-methyl-perfluorooctane-1-sulfonamide (24448-09-7)

Guidance literature:

With potassium hydroxide; for 3h; Heating;

DOI:10.1016/j.jfluchem.2007.01.013

Reference yield:

perfluorooctyl sulfofluorure (307-35-7) → N-(2-hydroxyethyl)-N-methyl-perfluorooctane-1-sulfonamide (24448-09-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: triethylamine / diethyl ether / 17 h / 0 - 20 °C

1.2: 43 percent / diethyl ether / 3 h / Heating

2.1: 86 percent / potassium carbonate; NaI / acetone / 36 h / Heating

3.1: 65 percent / aq. potassium hydroxide / 3 h / Heating

With potassium hydroxide; potassium carbonate; triethylamine; sodium iodide; In diethyl ether; acetone;

DOI:10.1016/j.jfluchem.2007.01.013

upstream raw materials:

[1,3]-dioxolan-2-one

N-methyl-1-(perfluorooctane)sulfonamide

2-bromoethanol

perfluorooctyl sulfofluorure

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