Tris(trifluoromethyl)phosphine oxide

Base Information

• Chemical Name: Tris(trifluoromethyl)phosphine oxide
• CAS No.: 423-01-8
• Molecular Formula: C3F9OP
• Molecular Weight: 253.992
• DSSTox Substance ID: DTXSID70511310
• Nikkaji Number: J1.025.234B
• Wikidata: Q82370054
• Mol file: 423-01-8.mol

Synonyms:tris(trifluoromethyl)phosphine oxide;423-01-8;SCHEMBL575379;DTXSID70511310;Oxo[tris(trifluoromethyl)]-lambda~5~-phosphane;(Bis-trifluoromethyl-phosphinoyl)-trifluoro-methane

Chemical Property of Tris(trifluoromethyl)phosphine oxide

Chemical Property:

• Vapor Pressure: 798.774mmHg at 25°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 253.95430508
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tris(trifluoromethyl)phosphine oxide

There total 2 articles about Tris(trifluoromethyl)phosphine oxide 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: 78.0%

tris(trifluoromethyl)phosphine (432-04-2) + nitrogen(II) oxide (10102-43-9) → NO(1+)*{(CF3)2PO2}(1-)=NO{(CF3)2PO2} + Carbonyl fluoride (353-50-4) + trifluoronitromethane (335-02-4) + tris(trifluoromethyl)phosphine oxide (423-01-8)

Guidance literature:

byproducts: N2, N2O, NO2; 80°C, 64 h;

DOI:10.1039/J19710002894

Reference yield:

tris(trifluoromethyl)phosphine (432-04-2) → tris(trifluoromethyl)phosphine oxide (423-01-8) + nitrogen(II) oxide (10102-43-9)

Guidance literature:

With NO₂; within 1 h at 25°C; slowing down of reaction in case of purification of reactants from impurities contg. iodine (i.e. CF3I, (CF3)2PI);

DOI:10.1021/ja01080a018

Reference yield:

tris(trifluoromethyl)phosphine oxide (423-01-8) → trifluoromethan (75-46-7) + bis(trifluoromethyl)phosphinic acid (422-94-6)

Guidance literature:

With water; In neat (no solvent);

DOI:10.1039/JR9550000574

upstream raw materials:

tris(trifluoromethyl)phosphine

nitrogen(II) oxide

Downstream raw materials:

polytetrafluoroethylene

Carbonyl fluoride

bis(trifluoromethyl)fluorophosphine

trifluoromethyldifluorophosphine