Methyl nonafluorobutanesulfonate

Base Information

• Chemical Name: Methyl nonafluorobutanesulfonate
• CAS No.: 6401-03-2
• Molecular Formula: C5H3F9O3S
• Molecular Weight: 314.13
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID20382274
• Wikidata: Q82173590
• Mol file: 6401-03-2.mol

Synonyms:methyl nonafluorobutanesulfonate;6401-03-2;Methyl nonaflate;methyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;methylnonafluorobutanesulfonate;methyl perfluorobutanesulfonate;SCHEMBL4454952;DTXSID20382274;DJQMSULGPPSGHC-UHFFFAOYSA-N;Methyl nonafluorobutane-1-sulphonate;MFCD00210080

Chemical Property of Methyl nonafluorobutanesulfonate

Chemical Property:

• Vapor Pressure: 3.92mmHg at 25°C
• Refractive Index: 1.316
• Boiling Point: 155-156°C
• Flash Point: 50
• PSA: 51.75000
• Density: 1.673g/cm³
• LogP: 3.46910
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 313.96591859
• Heavy Atom Count: 18
• Complexity: 403

Purity/Quality:

Methyl nonafluorobutanesulfonate 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,C
• Statements: 20/21/22-36/37/38-34
• Safety Statements: 23-36/37/39-45-26

MSDS Files:

Useful:

• Canonical SMILES: COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Technology Process of Methyl nonafluorobutanesulfonate

There total 4 articles about Methyl nonafluorobutanesulfonate 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%

nonafluorobutane-1-sulfonic acid silver salt (111831-41-5) + methyl iodide (74-88-4) → Methylnonaflat (6401-03-2)

Guidance literature:

In benzene; for 72h; Ambient temperature;

Reference yield: 96.0%

perfluorobutanesulfonic acid (375-73-5,59933-66-3) + dimethyl sulfate (77-78-1) → Methylnonaflat (6401-03-2)

Guidance literature:

for 3h; Heating;

Reference yield: 56.0%

methanol (67-56-1) + nonaflyl anhydride (36913-91-4) → Methylnonaflat (6401-03-2)

Guidance literature:

With sodium carbonate; In dichloromethane; for 12h; Ambient temperature;

upstream raw materials:

methanol

nonaflyl anhydride

methylene chloride

Perfluoro-n-butanesulfonyl hypochlorite

Refernces

• 1、 Frasch, Markus,Sundermeyer, Wolfgang,Waldi, Joachim. "Preparation of Esters of Nonafluorobutanesulfonic Acid". . p. 1763 - 1768. Retrieved 2007/10/02.