Trifluoromethyl peroxynitrate

Base Information

• Chemical Name: Trifluoromethyl peroxynitrate
• CAS No.: 50311-48-3
• Molecular Formula: CF3NO4
• Molecular Weight: 147.011
• DSSTox Substance ID: DTXSID00198335
• Nikkaji Number: J530.485G
• Wikidata: Q83071092
• Mol file: 50311-48-3.mol

Synonyms:Trifluoromethyl peroxynitrate;50311-48-3;Trifluoro(nitroperoxy)methane;(trifluoromethyl)-peroxynitrate;Trifluoro(nitroperoxy)methane #;SCHEMBL23829575;DTXSID00198335

Chemical Property of Trifluoromethyl peroxynitrate

Chemical Property:

• Vapor Pressure: 537mmHg at 25°C
• Boiling Point: 34.7°C at 760 mmHg
• Density: 1.69g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 146.97794197
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(OO[N+](=O)[O-])(F)(F)F

Technology Process of Trifluoromethyl peroxynitrate

There total 4 articles about Trifluoromethyl peroxynitrate 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:

trifluoronitrosomethane (334-99-6) → Carbonyl fluoride (353-50-4) + Trifluoromethyl peroxynitrate (50311-48-3) + Trifluoro-nitrooxy-methane (135659-54-0)

Guidance literature:

With oxygen; Nitrogen dioxide; at 21.9 ℃; for 0.5h; under 750.06 Torr; Rate constant; Kinetics; Mechanism; Irradiation; var. of temp., pressure, also without NO₂;

DOI:10.1002/bbpc.199700001

Reference yield:

iodotrifluoromethane (2314-97-8,263005-66-9) → Trifluoromethyl peroxynitrate (50311-48-3)

Guidance literature:

With oxygen; Nitrogen dioxide; under 750.06 Torr; Irradiation;

DOI:10.1021/jp953205g

Reference yield:

Carbonyl fluoride (353-50-4) → Trifluoromethyl peroxynitrate (50311-48-3)

Guidance literature:

With nitrosyl fluoride; Nitrogen dioxide; at 6.9 ℃; under 45.004 Torr; Equilibrium constant; different temperatures and pressures;

DOI:10.1021/jp953205g

upstream raw materials:

Carbonyl fluoride

iodotrifluoromethane

trifluoronitrosomethane

Downstream raw materials:

Carbonyl fluoride

Refernces

• 1、 Mayer-Figge, A.,Zabel, F.,Becker, K. H.. "Thermal Decomposition of CF3O2NO2". . p. 6587 - 6593. Retrieved 2007/10/03.