(Trifluoromethyl)dioxidanyl

Base Information

• Chemical Name: (Trifluoromethyl)dioxidanyl
• CAS No.: 17167-98-5
• Molecular Formula: CF3O2
• Molecular Weight: 101.005
• DSSTox Substance ID: DTXSID90938020
• Nikkaji Number: J737.768A
• Mol file: 17167-98-5.mol

Synonyms:(trifluoromethyl)dioxidanyl;17167-98-5;CF3O2;DTXSID90938020;KYADNZCLQTUTNT-UHFFFAOYSA-N

Chemical Property of (Trifluoromethyl)dioxidanyl

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 100.98503872
• Heavy Atom Count: 6
• Complexity: 38.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(O[O])(F)(F)F

Technology Process of (Trifluoromethyl)dioxidanyl

There total 4 articles about (Trifluoromethyl)dioxidanyl 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: 21.2%

iodotrifluoromethane (2314-97-8,263005-66-9) → chlorotrifluoromethane (75-72-9) + trifluoromethylperoxy radical (17167-98-5)

Guidance literature:

With oxygen; chlorine; at 22.9 ℃; for 0.00694444h; under 4.8 Torr; Rate constant; Thermodynamic data; Irradiation; var. of pressure, E_a;

DOI:10.1002/kin.550270302

Reference yield:

Bromotrifluoromethane (75-63-8) → trifluoromethylperoxy radical (17167-98-5) + bromo-trifluoro-methane radical anion (75-63-8)

Guidance literature:

With superoxide-ion; In gaseous matrix; at 24.9 ℃; Rate constant; Kinetics;

DOI:10.1063/1.463941

Reference yield:

bis(trifluoromethyl)peroxide (927-84-4) → trifluoromethyl radical (2264-21-3) + Carbonyl fluoride (353-50-4) + trifluoroketone (21811-29-0) + trifluoromethylperoxy radical (17167-98-5)

Guidance literature:

With oxygen; nitrogen(II) oxide; In gas; at 21.9 ℃; for 2.77778E-08h; under 50 Torr; Product distribution; Quantum yield; Kinetics; Irradiation; different reagents, pressures, reaction times and temperatures;

DOI:10.1021/j100048a014

upstream raw materials:

Bromotrifluoromethane

iodotrifluoromethane

bis(trifluoromethyl)peroxide

Downstream raw materials:

trifluoromethyl hydroperoxide

ascorbic acid radical anion

trifluoroketone

C₂HF₄O

Refernces

• 1、 Dibble, Theodore S.,Maricq, M. Matti,Szente, Joseph J.,Francisco, Joseph S.. "Kinetics of the Reaction of CF3O with NO". . p. 17394 - 17402. Retrieved 1995.