2,4,6-Trifluoropyridine

Base Information

• Chemical Name: 2,4,6-Trifluoropyridine
• CAS No.: 3512-17-2
• Molecular Formula: C5H2F3N
• Molecular Weight: 133.073
• Hs Code.: 2933399090
• European Community (EC) Number: 680-289-3
• DSSTox Substance ID: DTXSID50382560
• Nikkaji Number: J1.755.264C
• Wikidata: Q72513336
• Mol file: 3512-17-2.mol

Synonyms:2,4,6-Trifluoropyridine;3512-17-2;2,4,6-Trifluoro-pyridine;PYRIDINE, 2,4,6-TRIFLUORO-;MFCD03001161;2,4,6-tris(fluoranyl)pyridine;2,4,6-trifluorpyridine;2,4,6 trifluoropyridine;SCHEMBL1161680;DTXSID50382560;UZDRWXKBKVVUTE-UHFFFAOYSA-N;AMY12479;2,4,6-Trifluoropyridine, AldrichCPR;AKOS005254407;CS-W001233;PB32320;AS-38539;FT-0609873;EN300-91583;A822584;W-202440

Chemical Property of 2,4,6-Trifluoropyridine

Chemical Property:

• Vapor Pressure: 17.2mmHg at 25°C
• Refractive Index: 1.412
• Boiling Point: 121.9 °C at 760 mmHg
• PKA: -7.23±0.10(Predicted)
• Flash Point: 27.5 °C
• PSA: 12.89000
• Density: 1.397 g/cm³
• LogP: 1.49890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 133.01393355
• Heavy Atom Count: 9
• Complexity: 88.2

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trifluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,F
• Hazard Codes: C,F,Xi
• Statements: 11-34-41-37/38
• Safety Statements: 16-26-36/37/39-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(N=C1F)F)F
• Uses: 2,4,6-Trifluoropyridine is an intermediate in the synthesis of pharmaceutical goods.

Technology Process of 2,4,6-Trifluoropyridine

There total 4 articles about 2,4,6-Trifluoropyridine 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: 85.0%

3,5-dichloro-2,4,6-trifluoropyridine (1737-93-5,259875-95-1) → 2,4,6-trifluoropyridine (3512-17-2)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In octanol; at 25 ℃;

DOI:10.1002/chem.200400837

Reference yield: 75.0%

hydrogen (1333-74-0) + 3,5-dichloro-2,4,6-trifluoropyridine (1737-93-5,259875-95-1) → 2,4,6-trifluoropyridine (3512-17-2)

Guidance literature:

With catalyst: Pd on active carbon; In gaseous matrix; Hydrogenation in presence of catalyst (10 % Pd/90 % active carbon) at 280 °C in H2 stream.;

DOI:10.1039/JR9650005045

Reference yield:

pyridine (110-86-1) → 2,4,6-trifluoropyridine (3512-17-2) + 4H,5H-heptafluoro-2-azahex-2(Z),4(E)-diene (54471-09-9) + 5H-decafluoro-2-azahex-2(Z)-ene (54471-08-8) + undecafluoro-2-azahex-2(Z)-ene (54471-05-5)

Guidance literature:

With potassium tetrafluorocobaltate; In gaseous matrix; at 215 - 225 ℃; Further byproducts given; 1.) 3.5-4 h; 2.) 2 h;

DOI:10.1016/S0022-1139(00)81240-3

upstream raw materials:

pyridine

3,5-dichloro-2,4,6-trifluoropyridine

hydrogen

Downstream raw materials:

2,6-difluoro-4-methoxypyridine

2,6-difluoro-4-hydrazinylpyridine

2,4-difluoropyridine

2,4-difluoro-6-hydrazinopyridine

Refernces

• 1、 -. "ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES". Page 91-92. . Retrieved 2010/02/06.