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

Base Information

• Chemical Name: 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine
• CAS No.: 858-46-8
• Molecular Formula: C9F15 N3
• Molecular Weight: 435.095
• Hs Code.: 2933699090
• European Community (EC) Number: 212-724-6
• UNII: P9ZX68GA75
• DSSTox Substance ID: DTXSID30235085
• Nikkaji Number: J114.688B
• Wikidata: Q81985598
• Mol file: 858-46-8.mol

Synonyms:858-46-8;Tris(pentafluoroethyl)-s-triazine;2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine;2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine;s-Triazine, 2,4,6-tris(pentafluoroethyl)-;Tris(pentafluoroethyl)-1,3,5-triazine;C9F15N3;P9ZX68GA75;2,4,6-TRIS(PERFLUOROETHYL)-S-TRIAZINE;1,3,5-Triazine, 2,4,6-tris(pentafluoroethyl)-;EINECS 212-724-6;MFCD00042437;2,4,6-Tris(perfluoroethyl)-1,3,5-triazine;Perfluorotriethyl-s-triazine;UNII-P9ZX68GA75;Tris(perfluoroethyl)-S-triazine;SCHEMBL19327455;DTXSID30235085;BBL104066;C9-F15-N3;STL557880;AKOS015852644;2,4,6-Tris(pentafluoroethyl)-s-triazine;AS-81275;FT-0676222;T0858;2,4,6-tri(pentafluoroethyl)-1,3,5-triazine;T73002;N,N-DIMETHYL4,5-DIIODO-1H-IMIDAZOLE-1-SULFONAMIDE;1,3,5-Triazine, 2,4,6-tris(1,1,2,2,2-pentafluoroethyl)-;2,4,6-Tris(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine #;2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine [for Mass spectrometry]

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

Chemical Property:

• Vapor Pressure: 0.539mmHg at 25°C
• Refractive Index: n20/D 1.312
• Boiling Point: 122°C
• Flash Point: 73.1°C
• PSA: 38.67000
• Density: 1.665 g/mL at 20 °C(lit.)
• LogP: 4.83390
• Storage Temp.: 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 3
• Exact Mass: 434.9852694
• Heavy Atom Count: 27
• Complexity: 444

Purity/Quality:

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

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

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 20
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=NC(=NC(=N1)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F
• Uses: 2,4,6-Tris(pentafluoroethyl)-1,3,5-triazine is a useful reactant in the synthesis of fluorinated heteroannulated pyrimidines by the inverse-?electron-?demand Diels-?Alder reaction.

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

There total 4 articles about 2,4,6-Tris(pentafluoroethyl)-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: 91.0%

polytetrafluoroethylene (116-14-3,82785-14-6) + trifluoro-[1,3,5]triazine (675-14-9) → tris(perfluoroethyl)-s-triazine (858-46-8)

Guidance literature:

at 140 ℃; Large scale;

Reference yield:

2,2,3,3,3-pentafluoro-propionamidine (422-62-8) → tris(perfluoroethyl)-s-triazine (858-46-8)

Guidance literature:

at 125 ℃;

DOI:10.1021/jo01357a610

Reference yield:

pentafluoropropionitrile (422-04-8) → tris(perfluoroethyl)-s-triazine (858-46-8)

Guidance literature:

at 300 ℃; unter Druck;

DOI:10.1021/jo01357a610

upstream raw materials:

pentafluoropropionitrile

2,2,3,3,3-pentafluoro-propionamidine

polytetrafluoroethylene

trifluoro-[1,3,5]triazine

Downstream raw materials:

4,6-bis(perfluoroethyl)-2-phenyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one

Refernces