3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine
• CAS No.: 72537-17-8
• Molecular Formula: C6H2ClF4N
• Molecular Weight: 199.535
• Hs Code.: 29333990
• European Community (EC) Number: 625-955-6
• DSSTox Substance ID: DTXSID40361445
• Nikkaji Number: J2.071.196E
• Wikidata: Q72451593
• Mol file: 72537-17-8.mol

Synonyms:3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine;72537-17-8;3-chloro-2-fluoro-5-trifluoromethylpyridine;2-fluoro-3-chloro-5-(trifluoromethyl)pyridine;Pyridine, 3-chloro-2-fluoro-5-(trifluoromethyl)-;MFCD00191918;2-Fluoro-3-chloro-5-trifluoromethylpyridine;SCHEMBL805963;DTXSID40361445;AKOS006221193;AB04634;AM87161;CS-W010502;FS-4057;AC-23340;BP-12792;SY033483;A9433;C2671;FT-0641411;EN300-91517;3-chloro-2-fluoro-5-(trifluoromethyl)-pyridine;Q-101456;3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine, 98%

Chemical Property of 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine

Chemical Property:

• Vapor Pressure: 3.944mmHg at 25°C
• Melting Point: 16-20 °C(lit.)
• Refractive Index: n20/D 1.433(lit.)
• Boiling Point: 155.197 °C at 760 mmHg
• Flash Point: 47.662 °C
• PSA: 12.89000
• Density: 1.508 g/cm³
• LogP: 2.89290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 198.9811894
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1Cl)F)C(F)(F)F

Technology Process of 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine

There total 3 articles about 3-Chloro-2-fluoro-5-(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: 100.0%

2,3-dichloro-5-trifluoromethylpyridine (69045-84-7) → 2-fluoro-3-chloro-5-(trifluoromethyl)pyridine (72537-17-8)

Guidance literature:

With potassium carbonate; cesium fluoride; In dimethyl sulfoxide; at 120 ℃; for 4h; under 18.7519 - 22.5023 Torr; Product distribution / selectivity;

Reference yield: 99.0%

2-amino-3-chloro-5-(trifluoromethyl)pyridine (79456-26-1) → 2-fluoro-3-chloro-5-(trifluoromethyl)pyridine (72537-17-8)

Guidance literature:

With pyridine hydrogenfluoride; sodium nitrite; 1.) O deg C, 20 min, 2.) 20 deg C, 1 h;

DOI:10.1016/0040-4020(95)00867-8

Reference yield: 97.56%

2,3-dichloro-5-(trichloromethyl)pyridine (69045-83-6) → 2-fluoro-3-chloro-5-(trifluoromethyl)pyridine (72537-17-8)

Guidance literature:

2,3-dichloro-5-(trichloromethyl)pyridine; for 6h; under 75007.5 Torr; Autoclave; Inert atmosphere;

With hydrogen fluoride; at -5 - 185 ℃; for 12h; Temperature; Autoclave;

upstream raw materials:

2-amino-3-chloro-5-(trifluoromethyl)pyridine

2,3-dichloro-5-trifluoromethylpyridine

2,3-dichloro-5-(trichloromethyl)pyridine

Downstream raw materials:

1-[4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)-2-hydroxyphenyl]ethanone

3-chloro-2-cyano-5-(trifluoromethyl)pyridine

2,3-difluoro-5-(trifluoromethyl)pyridine

2-(4'-hydroxyphenoxy)-3-chloro-5-trifluoromethylpyridine

Refernces

• 1、 -. "Preparation method of 2-fluorine-3-chlorine-5-trifluoromethylpyridine". Paragraph 0026; 0027; 0028; 0033; 0036. . Retrieved 2018/07/30.