Trifluoromethyl cation

Base Information

• Chemical Name: Trifluoromethyl cation
• CAS No.: 18851-76-8
• Molecular Formula: CF3
• Molecular Weight: 69.0062
• DSSTox Substance ID: DTXSID001314852
• Wikidata: Q63967265
• Wikipedia: Trifluoromethyl_cation
• Mol file: 18851-76-8.mol

Synonyms:Trifluoromethyl cation;Perfluoromethyl cation;VRLAJHMZTGBAOE-UHFFFAOYSA-N;DTXSID001314852;18851-76-8;Q63967265

Chemical Property of Trifluoromethyl cation

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 68.99520949
• Heavy Atom Count: 4
• Complexity: 8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [C+](F)(F)F

Technology Process of Trifluoromethyl cation

There total 10 articles about Trifluoromethyl cation 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:

chlorotrifluoromethane (75-72-9) → trifluoromethylium (18851-76-8) + chlorodifluoromethyl cation (40640-71-9) + clorine (14700-96-0,14835-24-6,15723-23-6,16547-50-5,16885-04-4,16887-00-6,16904-11-3,16904-12-4,16999-02-3,20337-89-7,20499-73-4,22537-15-1,22537-27-5,22541-73-7,22541-74-8,24203-47-2,33944-49-9,34937-26-3,37352-90-2) + fluorine

Guidance literature:

With Ar⁽¹⁺⁾; In neat (no solvent); byproducts: Ar; dissociation by charge transfer reaction with Ar(1+);;

Reference yield:

fluorine ion + carbon tetrafluoride (75-73-0) + fluoromethyliumdiyl (33412-11-2) + difluoro carbene(1+) (54250-40-7) → difluoro-methylene (2154-59-8) + trifluoromethyl radical (2264-21-3) + trifluoromethylium (18851-76-8) + fluorine (7782-41-4)

Guidance literature:

In neat (no solvent); determination by MS;; Kinetics;

Reference yield:

1,1,1,2-tetrafluoroethane (811-97-2) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + Carbonyl fluoride (353-50-4) + trifluoromethylium (18851-76-8)

Guidance literature:

With O⁽¹⁺⁾; at 26.9 ℃; Rate constant; ΔH (excit.);

DOI:10.1021/j100016a040

upstream raw materials:

Bromotrifluoromethane

difluoro carbene⁽¹⁺⁾

iodotrifluoromethane

perfluorobutane

Downstream raw materials:

carbon tetrafluoride

chlorodifluoromethyl cation

bromodifluoromethyl⁽¹⁺⁾

iododifluoromethyl⁽¹⁺⁾

Refernces

• 1、 Fisher, Ellen R.,Armentrout, P. B.. "Kinetic Energy Dependence of the Reactions of O(1+) and O2(1+) with CF4 and C2F6". . p. 6118 - 6124. Retrieved 1991.
• 2、 Thomas,Kennedy,Mayhew,Watts. "Reactions of H3O+ and H2O+ with several fully halogenated bromomethanes". . p. 8489 - 8495. Retrieved 2007/10/03.