Trimethyloxonium hexafluorophosphate

Base Information

• Chemical Name: Trimethyloxonium hexafluorophosphate
• CAS No.: 12116-05-1
• Molecular Formula: C3H9F6OP
• Molecular Weight: 206.068
• European Community (EC) Number: 235-174-9
• DSSTox Substance ID: DTXSID50884539
• Mol file: 12116-05-1.mol

Synonyms:Trimethyloxonium hexafluorophosphate;12116-05-1;Trimethyloxonium hexafluorophosphate(1-);Oxonium, trimethyl-, hexafluorophosphate(1-);EINECS 235-174-9;trimethyloxidanium;hexafluorophosphate;Oxonium, trimethyl-, hexafluorophosphate(1-) (1:1);NSC 176019;C3H9O.F6P;DTXSID50884539;C3-H9-O.F6-P;tri-methyl oxonium hexafluorophosphate;O(C)(C)C.FP(F)(F)(F)(F)F

Chemical Property of Trimethyloxonium hexafluorophosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 22.82000
• Density: g/cm³
• LogP: -16.68670
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 206.02952088
• Heavy Atom Count: 11
• Complexity: 70.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[O+](C)C.F[P-](F)(F)(F)(F)F

Technology Process of Trimethyloxonium hexafluorophosphate

There total 2 articles about Trimethyloxonium hexafluorophosphate 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: 42.0%

Dimethyl ether (115-10-6,157621-61-9) → trimethyloxonium hexafluorophosphate (12116-05-1)

Guidance literature:

With phosphorus pentafluoride; at 35 ℃; for 144h;

DOI:10.1021/ja970908y

Reference yield:

Dimethyl ether (115-10-6,157621-61-9) + trimethyl orthoformate (149-73-5) → trimethyloxonium hexafluorophosphate (12116-05-1)

Guidance literature:

With phosphorus pentafluoride;

DOI:10.1055/s-1973-22241

Reference yield: 97.0%

3-Phenylpyrido<1,2-a>pyrazinium-1-thiolate (132396-05-5) + trimethyloxonium hexafluorophosphate (12116-05-1) → 1-Methylthio-3-phenylpyrido<1,2-a>pyrazinium hexafluorophosphate (132396-45-3)

Guidance literature:

In dichloromethane; for 20h; Ambient temperature;

upstream raw materials:

Dimethyl ether

trimethyl orthoformate

Downstream raw materials:

C₁₈H₃₀OPS⁽¹⁺⁾*F₆P^(1-)

C₂₇H₃₄O₂P⁽¹⁺⁾*F₆P^(1-)

3-cyclohexyl-4-methoxy-1-oxo-4a,5,8,8a-tetrahydro-1H-benzo[d][1,2]oxazinium; hexafluorophosphate

N-<(3-Fluorphenyl)methoxymethylen>-N-methylmethanaminium-hexafluorophosphat

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