2,4,6-Tris(trifluoromethyl)-1,3,5-triazine

Base Information

• Chemical Name: 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
• CAS No.: 368-66-1
• Molecular Formula: C6F9N3
• Molecular Weight: 285.072
• Hs Code.: 29336980
• European Community (EC) Number: 206-709-3
• UNII: HYR9NXU32Y
• DSSTox Substance ID: DTXSID20190270
• Nikkaji Number: J49.153E
• Wikidata: Q72515450
• Mol file: 368-66-1.mol

Synonyms:2,4,6-Tris(trifluoromethyl)-s-triazine;s-Triazine,2,4,6-tris(trifluoromethyl)- (6CI,7CI,8CI);2,4,6-Tris(trifluoromethyl)-1,3,5-triazine;

Chemical Property of 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 9.87mmHg at 25°C
• Melting Point: -25oC
• Refractive Index: n20/D 1.313(lit.)
• Boiling Point: 134.7 °C at 760 mmHg
• PKA: -4.88±0.10(Predicted)
• Flash Point: 35.3 °C
• PSA: 38.67000
• Density: 1.68 g/cm³
• LogP: 2.92800
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 0
• Exact Mass: 284.99485047
• Heavy Atom Count: 18
• Complexity: 233

Purity/Quality:

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

2,4,6-tris(Trifluoromethyl)-1,3,5-triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37-36/37/38
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Uses: 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine is used as a secondary battery electrolyte in power storage systems.

Technology Process of 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine

There total 11 articles about 2,4,6-Tris(trifluoromethyl)-1,3,5-triazine 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:

2,4,6-tris(trichloromethyl)-s-triazine (6542-67-2) → 2,4,6-tris(trifluoromethyl)-1,3,5-triazine (368-66-1)

Guidance literature:

With antimony(III) fluoride; antimony(III) chloride; chlorine;

DOI:10.1021/ja01164a056 DOI:10.1021/ie50447a633

Reference yield:

2,2,2-Trifluoroethyl Trifluoroacetimidate (4134-43-4) → 2,4,6-tris(trifluoromethyl)-1,3,5-triazine (368-66-1) + 2,2,2-Trifluoro-1,1-bis-(2,2,2-trifluoro-ethoxy)-ethylamine (75767-54-3)

Guidance literature:

In dichloromethane; at 60 ℃; for 65h; under 7500600 Torr; other solvent;

DOI:10.1021/jo00315a034

Reference yield:

trifluoroacetonitrile (353-85-5) → 2,4,6-tris(trifluoromethyl)-1,3,5-triazine (368-66-1)

Guidance literature:

With hydrogenchloride; at 10 - 100 ℃; unter Druck;

DOI:10.1021/jo01090a619

upstream raw materials:

trifluoroacetonitrile

2,4,6-tris(trichloromethyl)-s-triazine

perfluoro(dimethylethylamine)

2,2,2-Trifluoroethyl Trifluoroacetimidate

Downstream raw materials:

ethyl trifluoroacetate,

isopropyl Trifluoroacetate

1-benzyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine

7-phenyl-2,4,6-tris(trifluoromethyl)hieno[3,2-d]pyrimidine

Refernces

• 1、 Bissell,Spenger. "-". . p. 1147. Retrieved 1959.
• 2、 Wallick et al.. "-". . p. 388. Retrieved 1969.
• 3、 Eltoum, Ahmed O. A.,O'Reilly, Neil J.,Tipping, Anthony E.. "Unsaturated nitrogen compounds containing fluorine. Part 10. Reaction of 2,5-dichloro-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene with halide ion and oxygen- and sulphur-centred nucleophiles and of its 2,5-di-iodo analogue with reducing agents and certain nucleophiles". . p. 101 - 110. Retrieved 2007/10/02.
• 4、 Koppes, William M.,Adolph, Horst G.. "Pressure-Induced Cyclotrimerization of Electron-Deficient Nitriles. Catalysis by Acidic Alcohols and Phenols". . p. 406 - 412. Retrieved 2007/10/02.