2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE

Base Information

• Chemical Name: 2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE
• CAS No.: 651-80-9
• Molecular Formula: C7HF7
• Molecular Weight: 218.074
• Hs Code.: 29039990
• Mol file: 651-80-9.mol

Synonyms:2,3,5,6-Tetrafluorobenzotrifluoride;1,2,4,5-Tetrafluoro-3-(trifluoromethyl)benzene;Toluene, α,α,α,2,3,5,6-heptafluoro-;α,α,α,2,3,5,6-Heptafluorotoluene;

Chemical Property of 2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE

Chemical Property:

• Vapor Pressure: 25.7mmHg at 25°C
• Melting Point: 111-112 °C(lit.)
• Refractive Index: n20/D 1.379(lit.)
• Boiling Point: 112.4 °C at 760 mmHg
• Flash Point: 19.7 °C
• PSA: 0.00000
• Density: 1.56 g/cm³
• LogP: 3.26180
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,3,5,6-Tetrafluorobenzotrifluoride >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39-37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE

There total 28 articles about 2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE 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: 100.0%

perfluorotoluene (434-64-0) → 1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene (651-80-9)

Guidance literature:

With water; triethylphosphine; In 1,4-dioxane; at 120 ℃; for 4h; Schlenk technique; Inert atmosphere; Glovebox;

DOI:10.1039/c9nj00721k

Reference yield: 96.0%

perfluorotoluene (434-64-0) → 1,2,3,4-tetrafluoro-5-(trifluoromethyl)benzene (654-53-5) + 1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene (651-80-9)

Guidance literature:

With H₂SiEt₂; tetrabutylammonium triphenyldifluorosilicate; In tetrahydrofuran; tetrahydrofuran-d8; at 40 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Inert atmosphere;

DOI:10.1002/anie.201708003

Reference yield: 95.0%

nBu4N+[Cu(2,3,5,6-tetrafluorophenyl)(CF3)3]- → 1,2,4,5-tetrafluoro-3-(trifluoromethyl)benzene (651-80-9)

Guidance literature:

In 1,2-dichloro-ethane; at 95 ℃; Kinetics; Glovebox; Inert atmosphere;

DOI:10.1002/anie.201904041

upstream raw materials:

perfluorotoluene

trimethyl(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)silane

(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)hydrazine

hexaethylphosphoric triamide

Downstream raw materials:

1-chloro-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

4-H-decafluoro-1-methyl-1,4-cyclohexadiene

4-H-4-chlorodecafluoro-1-methylcyclohexene

4-trifluoromethyl-2,3,5,6-tetrafluorobromobenzene

Refernces

• 1、 Schoch, Timothy D.,Mondal, Mukulesh,Weaver, Jimmie D.. "Catalyst-Free Hydrodefluorination of Perfluoroarenes with NaBH4". supporting information. p. 1588 - 1593. Retrieved 2021/03/03.
• 2、 Lim, Soohyun,Radosevich, Alexander T.. "Round-Trip Oxidative Addition, Ligand Metathesis, and Reductive Elimination in a PIII/PVSynthetic Cycle". . p. 16188 - 16193. Retrieved 2020/10/26.