Hexa[trifluoromethyl]benzene

Base Information

• Chemical Name: Hexa[trifluoromethyl]benzene
• CAS No.: 2340-93-4
• Molecular Formula: C12F18
• Molecular Weight: 486.103
• NSC Number: 60318
• DSSTox Substance ID: DTXSID50289323
• Nikkaji Number: J594.983A
• Wikidata: Q82026567
• Mol file: 2340-93-4.mol

Synonyms:Hexa[trifluoromethyl]benzene;2340-93-4;1,2,3,4,5,6-Hexakis(trifluoromethyl)benzene;Benzene, hexakis(trifluoromethyl)-;Benzene, 1,2,3,4,5,6-hexakis(trifluoromethyl)-;hexakis(trifluoromethyl)benzene;NSC60318;SCHEMBL10600250;DTXSID50289323;NSC-60318;1,2,3,4,5,6-Hexakis(trifluoromethyl)benzene #

Chemical Property of Hexa[trifluoromethyl]benzene

Chemical Property:

• Vapor Pressure: 20.6mmHg at 25°C
• Boiling Point: 117.6°C at 760 mmHg
• Flash Point: 40.9°C
• Density: 1.673g/cm³
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 0
• Exact Mass: 485.9712569
• Heavy Atom Count: 30
• Complexity: 442

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F

Technology Process of Hexa[trifluoromethyl]benzene

There total 8 articles about Hexa[trifluoromethyl]benzene 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: 91.0%

hexafluoro-2-butyne (692-50-2) → hexakis(trifluoromethyl)benzene (2340-93-4)

Guidance literature:

With 2; In benzene; for 1h; Product distribution; Ambient temperature; var. catalyst: 2 or 2; var. solv.: toluene, acetone;

DOI:10.1016/0040-4039(96)01301-9

Reference yield: 89.0%

(CF3)6C6Ni(As(CH3)2C6H5)2 (32799-78-3,52544-46-4) → hexakis(trifluoromethyl)benzene (2340-93-4)

Guidance literature:

With [2,2]bipyridinyl;

DOI:10.1039/J19710000448

Reference yield: 79.0%

[(η5-C5Me5)Co(μ-CO)]2 + hexafluoro-2-butyne (692-50-2) → hexakis(trifluoromethyl)benzene (2340-93-4) + (η-C5Me5)Co{C4(CF3)4CO} + (η-C5Me5)Co{C6(CF3)6}

Guidance literature:

In acetone; large excess of hexafluorobut-2-yne; 20 ° C for 8 d;; thin layer chromy. (hexane/CH2Cl2=5:2); the products were identified spectroscopically;;

upstream raw materials:

hexafluoro-2-butyne

hexaiodobenzene

(trifluoromethyl)trimethylsilane

(CF₃)6C₆Ni(As(CH₃)2C₆H₅)2

Downstream raw materials:

Pentakis-trifluormethyl-benzoesaeure-ethylester

Hexakis-(trifluormethyl)-benzvalen

Hexakis-(trifluormethyl)-prisman

Hexakis-(trifluormethyl)-bicyclo<2.2.0>hexadien-2,5, Hexakis-(trifluormethyl)-Dewar-benzol