5-Chloro-2,4,6-trifluoropyrimidine

Base Information

• Chemical Name: 5-Chloro-2,4,6-trifluoropyrimidine
• CAS No.: 697-83-6
• Molecular Formula: C4Cl F3 N2
• Molecular Weight: 168.506
• Hs Code.: 2933599090
• European Community (EC) Number: 211-807-4
• DSSTox Substance ID: DTXSID2061018
• Nikkaji Number: J206.020E
• Wikidata: Q72460532
• Mol file: 697-83-6.mol

Synonyms:5-Chloro-2,4,6-trifluoropyrimidine;697-83-6;Pyrimidine, 5-chloro-2,4,6-trifluoro-;5-chloro-2,4,6-trifluoro-pyrimidine;EINECS 211-807-4;MFCD00191933;C4ClF3N2;2,4,6-trifluoro-5-chloro pyrimidine;SCHEMBL83209;C4-Cl-F3-N2;DTXSID2061018;2,4,6-trifluoro-5-chloropyrimidine;5-chloro-2,4-6-trifluoropyrimidine;AKOS005255653;AC-10229;PS-10207;5-Chloro-2,4,6-trifluoropyrimidine, 99%;C1666;CS-0204608;FT-0620231;D89443;EN300-182961;A836648;W-104589;Z1203161841

Chemical Property of 5-Chloro-2,4,6-trifluoropyrimidine

Chemical Property:

• Appearance/Colour: Colorless liquid.
• Vapor Pressure: 0.501mmHg at 25°C
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 114-116 ºC
• Flash Point: >230°F
• PSA: 25.78000
• Density: 1.626
• LogP: 1.54730
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 167.9702102
• Heavy Atom Count: 10
• Complexity: 113

Purity/Quality:

99.9% ^*data from raw suppliers

5-Chloro-2,4,6-trifluoropyrimidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(N=C(N=C1F)F)F)Cl
• Uses: 5-Chloro-2,4,6-trifluoropyrimidine can be used as a starting material to synthesize: 4-azido-5-chloro-2,6-difluoro-pyrimidine by azidation reaction with sodium azide. 5-chloro triphenoxy pyrimidine by reacting with tetraphenoxysilane in the presence of tetra butyl ammonium fluoride (TBAF). 5-chloro-2,6-difluoropyrimidin-4-amine, and 5-chloro-4,6-difluoropyrimidin-2-amine (9:1 ratio) by reacting with ammonia. 5-Chloro-N,N -diethyl-2,6-dipyrimidin-4-amine, by treating with diethylamine and DIPEA.

Technology Process of 5-Chloro-2,4,6-trifluoropyrimidine

There total 7 articles about 5-Chloro-2,4,6-trifluoropyrimidine 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: 92.0%

2,4,5,6-tetrachloropyrimidine (1780-40-1) → 2,4,6-trifluoro-5-chloropyrimidine (697-83-6)

Guidance literature:

With potassium fluoride; 1-butyl-3-methylimidazolium chloride; at 80 - 150 ℃; for 10h; Electric arc; Large scale;

Reference yield: 91.0%

→ 2,4,6-trifluoro-5-chloropyrimidine (697-83-6)

Guidance literature:

Reference yield: 8.7%

2,4,6-trifluoropyrimidine (696-82-2) → 2,4,5,6-tetrafluoropyrimidine (767-79-3) + 2,4,6-trifluoro-5-chloropyrimidine (697-83-6)

Guidance literature:

With chlorine pentafluoride; In various solvent(s); at 0 ℃;

DOI:10.1016/S0022-1139(00)81475-X

upstream raw materials:

2,4,6-trifluoropyrimidine

2,4,5,6-tetrachloropyrimidine

2,4,5,6-tetrafluoropyrimidine

Downstream raw materials:

trans-[PdCl(5-C₄N₂F₃)(PPh₃)2]

trans-[NiCl(4-C₄N₂ClF₂)(PPh₃)2]

trans-[NiF(4-C₄N₂ClF₂)(PPh₃)2]

trans-[NiF(4-C₄N₂ClF₂)(P(C₆H₁₁)3)2]

Refernces

• 1、 -. "METHOD OF INCREASING THE SPF RATING AND COMPOUNDS SUITABLE FOR INCREASING THE SPF RATING OF FIBRE OR FABRIC". . . Retrieved 2008/06/13.
• 2、 Chambers, Richard D.,Edwards, Andrew R.. "Perfluorocarbon fluids as solvent replacements". . p. 3623 - 3627. Retrieved 2007/10/03.