3,5-Bis(trifluoromethyl)pyridine

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)pyridine
• CAS No.: 20857-47-0
• Molecular Formula: C7H3F6N
• Molecular Weight: 215.098
• Hs Code.: 29333990
• European Community (EC) Number: 633-794-8
• DSSTox Substance ID: DTXSID00380859
• Wikidata: Q82171341
• Mol file: 20857-47-0.mol

Synonyms:3,5-Bis(trifluoromethyl)pyridine;20857-47-0;Pyridine, 3,5-bis(trifluoromethyl)-;MFCD00128904;SCHEMBL3749196;DTXSID00380859;RQEOYYWUVYZZLL-UHFFFAOYSA-N;BBL103583;STL557393;AKOS005063746;PS-7942;3,5-Bis(trifluoromethyl)pyridine, 95%;CS-0132289;FT-0614481;A814978;J-013678

Chemical Property of 3,5-Bis(trifluoromethyl)pyridine

Chemical Property:

• Vapor Pressure: 16.5mmHg at 25°C
• Melting Point: 34-38 °C
• Refractive Index: 1.375
• Boiling Point: 122.891 °C at 760 mmHg
• Flash Point: 28.124 °C
• PSA: 12.89000
• Density: 1.437 g/cm³
• LogP: 3.11920
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 215.01696807
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

3,5-bis(Trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F; T; Xi
• Hazard Codes: F,T,Xi
• Statements: 11-25-37/38-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,5-Bis(trifluoromethyl)pyridine

There total 5 articles about 3,5-Bis(trifluoromethyl)pyridine 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:

pyridine (110-86-1) + iodotrifluoromethane (2314-97-8,263005-66-9) → 4-trifluoromethylpyridine (3796-24-5) + 3-(trifluoromethyl)pyridine (3796-23-4) + 3,5-bis(trifluoromethyl)pyridine (20857-47-0) + 2,6-bis-(trifluoromethyl)pyridine (455-00-5) + 2-(trifluoromethyl)pyridine (368-48-9)

Guidance literature:

for 96h; Product distribution; Irradiation; The yields, the kind of products depend on the time of the irrad. and/or the temp., and the mol. ratio. Other trifluorometh. agents investigated;

DOI:10.1016/S0022-1139(00)80523-0

Reference yield:

C25H18BF6N → 3,5-bis(trifluoromethyl)pyridine (20857-47-0) + triphenylborane (960-71-4)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1002/chem.202003916

Reference yield:

C25H15BF9N → 3,5-bis(trifluoromethyl)pyridine (20857-47-0) + tris(4-fluorophenyl)borane (47196-74-7)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1002/chem.202003916

upstream raw materials:

pyridine

iodotrifluoromethane

Refernces