Phosphine oxide, tris(pentafluorophenyl)-

Base Information

• Chemical Name: Phosphine oxide, tris(pentafluorophenyl)-
• CAS No.: 2729-11-5
• Molecular Formula: C18F15 O P
• Molecular Weight: 548.147
• NSC Number: 168732
• DSSTox Substance ID: DTXSID40304993
• Nikkaji Number: J46.753G
• Wikidata: Q63395382
• Mol file: 2729-11-5.mol

Synonyms:Phosphine oxide, tris(pentafluorophenyl)-;2729-11-5;Tris(pentafluorophenyl)phosphine oxide;1-bis(2,3,4,5,6-pentafluorophenyl)phosphoryl-2,3,4,5,6-pentafluorobenzene;MLO 74-63;SCHEMBL3155357;DTXSID40304993;VDVWCGGZSOUZCE-UHFFFAOYSA-N;Tris(perfluorophenyl)phosphine oxide;NSC168732;NSC-168732;CS-0379264;TRIS(PENTAFLUOROPHENYL)-PHOSPHINE OXIDE;Q63395382;Tris(2,3,4,5,6-pentafluorophenyl)phosphine oxide #;1-bis(2,3,4,5,6-pentafluorophenyl)phosphoryl-2,3,4,5,6-pentafluoro-benzene

Chemical Property of Phosphine oxide, tris(pentafluorophenyl)-

Chemical Property:

• Vapor Pressure: 2.98E-07mmHg at 25°C
• Boiling Point: 431.6°C at 760 mmHg
• Flash Point: 214.8°C
• PSA: 26.88000
• Density: 1.8g/cm³
• LogP: 5.41250
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 3
• Exact Mass: 547.9447240
• Heavy Atom Count: 35
• Complexity: 660

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)P(=O)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F)F)F)F

Technology Process of Phosphine oxide, tris(pentafluorophenyl)-

There total 18 articles about Phosphine oxide, tris(pentafluorophenyl)- 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: 97.0%

tris(pentafluorophenyl)phosphine (1259-35-4) → tris(pentafluorophenyl)phosphine oxide (2729-11-5)

Guidance literature:

With potassium dichromate; In sulfuric acid; acetic acid; 6h heating under reflux;

Reference yield: 93.0%

bis-trifluoromethyl-aminooxyl (2154-71-4) + tris(pentafluorophenyl)phosphine (1259-35-4) → tris(pentafluorophenyl)phosphine oxide (2729-11-5)

Guidance literature:

In further solvent(s); solvent: Cl2CFCF2Cl; sealed tube, -70°C for 1 d, shaking at room temp. for 20 min, left standing for another d; recrystn. from petroleum ether;

DOI:10.1016/S0022-1139(00)82557-9

Reference yield:

difluorotris(pentafluorphenyl)phosphorane (22474-72-2,54082-67-6) → tris(pentafluorophenyl)phosphine oxide (2729-11-5)

Guidance literature:

With water; In chloroform;

DOI:10.1039/J19690000840

upstream raw materials:

tris(pentafluorophenyl)phosphine

bis-trifluoromethyl-aminooxyl

tris(2,4,6-trimethoxyphenyl)phosphine selenide

antimony pentafluoride

Downstream raw materials:

C₁₂F₉(C₆F₅)2P

Pentafluorobenzene

2,3,5,6,2′,3′,4′,5′,6′-nonafluorobiphenyl

tris(pentafluorophenyl)phosphine

Refernces

• 1、 LaFortune, James H. W.,Johnstone, Timothy C.,Pérez, Manuel,Winkelhaus, Daniel,Podgorny, Vitali,Stephan, Douglas W.. "Electrophilic phenoxy-substituted phosphonium cations". . p. 18156 - 18162. Retrieved 2016/11/25.
• 2、 Oliver, Katherine W.,Rettig, Steven J.,Thompson, Robert C.,Trotter, James,Xia, Shihua. "Synthesis of perfluorodiphenylphosphinic acid and its potassium and oxonium salts; crystal structure of oxonium perfluorodiphenylphosphinate". . p. 47 - 50. Retrieved 2007/10/03.