50311-48-3

Basic information

• Product Name: trifluoro(nitroperoxy)methane
• Synonyms: Trifluoro(nitroperoxy)methane
• CAS NO: 50311-48-3
• Molecular Formula: CF₃NO₄
• Molecular Weight: 147.0102
• Mol File: 50311-48-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 34.7°C at 760 mmHg
• Density: 1.69g/cm³
• Vapor Pressure: 537mmHg at 25°C
• Refractive Index: 1.307
• CAS DataBase Reference: trifluoro(nitroperoxy)methane(CAS DataBase Reference)
• NIST Chemistry Reference: trifluoro(nitroperoxy)methane(50311-48-3)
• EPA Substance Registry System: trifluoro(nitroperoxy)methane(50311-48-3)

Safety Data

• Hazardous Substances Data: 50311-48-3(Hazardous Substances Data)

Usage

General Description

Trifluoro(nitroperoxy)methane is a highly reactive chemical compound that is a powerful oxidizer and has explosive properties. It is synthesized by the reaction of trifluoromethyl hypofluorite with nitric acid and is commonly used as a reagent in organic chemistry for the introduction of nitro and peroxide functional groups. However, due to its instability and potential danger, it must be handled with extreme caution and stored in a controlled environment. Trifluoro(nitroperoxy)methane is not commonly used in industrial applications due to its hazardous nature, but it is a valuable tool for researchers studying nitro and peroxide chemistry.

Upstream product

• 334-99-6 trifluoronitrosomethane 
• 2314-97-8 iodotrifluoromethane 
• 353-50-4 Carbonyl fluoride 

Downstream Products

• 353-50-4 Carbonyl fluoride 

Relevant articles and documents

Kinetic and mechanistic studies of the reactions of CF3O radicals with NO and NO2

The reactions of CF3O radicals with (1) NO and (2) NO2 were-studied using two different experimental techniques. A laser photolysis/LIF detection method was applied for measuring the rate constants as a function of temperature (T=222-302 K) and total pressure (ptot = 7-107 mbar). Whereas the reaction with (1) NO was found to be independent of temperature and pressure with k1 = (4.5±1.2)×10-11 cm3 s-1, the reaction with (2) NO2 was found to be dependent on both of these variables. The temperature dependence of k2 in the high pressure limit can be given by the expression k2, ∞ (T)=(8±5)×10-13 exp ((863±194) K/T) cm3 s-1. The product distributions of the two reactions were determined in separate experiments using steady-state photolysis combined with FTIR spectroscopy. For reaction (1) only CF2O was found as a reaction product with a yield of 0.93±0.10, independent of temperature. For reaction (2) several products (CF3ONO2, CF2O, FNO2) were identified, the overall yield, however, is dominated (≥90%) by the recombination product CF3ONO2. A theoretical analysis of the detailed mechanisms of both reactions was made by performing ab initio energy and geometry predictions in combination with RRKM calculations. Both reactions were found to proceed via an initial addition mechanism involving the CF3ONOx (x=1, 2) intermediate and a four-center transition state. A direct abstraction of an F atom by NO or NO2 can be excluded. WILEY-VCH Verlag GmbH, 1997.

Some reactions of CF3OO derivatives with inorganic nitrogen compounds. Synthesis and vibrational spectrum of trifluoromethyl peroxynitrate

Trifluoromethyl peroxynitrate, CF3OONO2, is obtained in high yield by the reaction of trifluoromethyl hydroperoxide with dinitrogen pentoxide or fluoroperoxytrifluoromethane with dinitiogen tetioxide. Physical and chemical properties of the new compound are reported along with an assignment of the vibrational spectrum based on Cs symmetry.