2,6-Dichloro-3-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 2,6-Dichloro-3-(trifluoromethyl)pyridine
• CAS No.: 55304-75-1
• Molecular Formula: C6H2Cl2F3N
• Molecular Weight: 215.99
• Hs Code.: 29333990
• European Community (EC) Number: 259-585-8
• DSSTox Substance ID: DTXSID00203852
• Nikkaji Number: J62.501I
• Wikidata: Q72468486
• Mol file: 55304-75-1.mol

Synonyms:2,6-dichloro-3-trifluoromethylpyridine

Chemical Property of 2,6-Dichloro-3-(trifluoromethyl)pyridine

Chemical Property:

• Appearance/Colour: COLORLESS TO YELLOW LIQUID
• Vapor Pressure: 0.162mmHg at 25°C
• Melting Point: 194 °C
• Refractive Index: n20/D 1.4850(lit.)
• Boiling Point: 221 °C at 760 mmHg
• PKA: -4.84±0.10(Predicted)
• Flash Point: 87.5 °C
• PSA: 12.89000
• Density: 1.542 g/cm³
• LogP: 3.40720
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 214.9516389
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

98% ^*data from raw suppliers

2,6-Dichloro-3-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 25-36/37/38
• Safety Statements: 26-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=NC(=C1C(F)(F)F)Cl)Cl

Technology Process of 2,6-Dichloro-3-(trifluoromethyl)pyridine

There total 8 articles about 2,6-Dichloro-3-(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: 97.3%

(trifluoromethyl)trimethylsilane (81290-20-2) + 2,6-dichloro-3-iodo-pyridine (148493-37-2) → 2,6-dichloro-3-(trifluoromethyl)pyridine (55304-75-1)

Guidance literature:

(trifluoromethyl)trimethylsilane; With potassium fluoride; copper(l) iodide; In tetrahydrofuran; N,N-dimethyl-formamide; at 20 - 50 ℃; for 21h;

2,6-dichloro-3-iodo-pyridine; In tetrahydrofuran; N,N-dimethyl-formamide; at 50 ℃;

Reference yield: 70.0%

→ 2,6-dichloro-3-(trifluoromethyl)pyridine (55304-75-1)

Guidance literature:

Reference yield: 50.0%

2-chloro-5-trifluoromethylpyridine 1-oxide (261956-65-4) → 2,6-dichloro-3-(trifluoromethyl)pyridine (55304-75-1)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 17h; Product distribution / selectivity;

upstream raw materials:

2-chloro-5-trifluoromethylpyridine 1-oxide

2,6-dichloro-3-(trichloromethyl)pyridine

antimony(III) fluoride

tartaric acid

Downstream raw materials:

(6-chloro-5-trifluoromethyl-pyridin-2-yl)-(4-methoxy-benzyl)-amine, trifluoroacetic acid salt

C₁₈H₁₈ClF₃N₂O₂

6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

6-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3-(trifluoromethyl)pyridin-2-amine

Refernces

• 1、 -. "METHOD FOR SEPARATING AND PURIFYING 2-CHLORO-3-TRIFLUOROMETHYLPYRIDINE". Paragraph 0092-0095. . Retrieved 2020/02/27.
• 2、 -. "BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR". Page/Page column 111-112. . Retrieved 2009/12/27.