2-Chloro-5-(trichloromethyl)pyridine

Base Information

• Chemical Name: 2-Chloro-5-(trichloromethyl)pyridine
• CAS No.: 69045-78-9
• Molecular Formula: C6H3Cl4N
• Molecular Weight: 230.909
• Hs Code.: 2933399090
• European Community (EC) Number: 614-911-1
• UNII: 7YHC64YM0S
• DSSTox Substance ID: DTXSID4028967
• Nikkaji Number: J1.581.751H
• Wikidata: Q27269026
• ChEMBL ID: CHEMBL3188409
• Mol file: 69045-78-9.mol

Synonyms:2-chloro-5-(trichloromethyl)pyridine;69045-78-9;2-CHLORO-5-TRICHLOROMETHYLPYRIDINE;2-Chloro-5-trichloromethyl pyridine;Pyridine, 2-chloro-5-(trichloromethyl)-;UNII-7YHC64YM0S;7YHC64YM0S;DTXSID4028967;MFCD00160145;2-chloro-5-(Trichloromethyl)-pyridine;DTXCID208967;SCHEMBL4985623;CHEMBL3188409;AMY5198;2-chloro-5-trichloromehtylpyridine;6-chloro-3-trichloromethyl pyridine;Tox21_301246;STL336180;AKOS000268273;AB04207;DK-0013;NCGC00255192-01;AC-23343;CAS-69045-78-9;A9149;CHLORO-5-TRICHLOROMETHYLPYRIDINE, 2-;CS-0051963;EU-0033517;FT-0641218;EN300-25485;2-chloro-5-trichloromethylpyridine, AldrichCPR;P10088;Q27269026;Z57107671;F0797-0001

Chemical Property of 2-Chloro-5-(trichloromethyl)pyridine

Chemical Property:

• Appearance/Colour: Colorless and Clear liquid
• Vapor Pressure: 0.00596mmHg at 25°C
• Melting Point: 53-55ºC
• Refractive Index: 1.575
• Boiling Point: 281.8°C at 760 mmHg
• PKA: -2.26±0.10(Predicted)
• Flash Point: 151.2 °C
• PSA: 12.89000
• Density: 1.582 g/cm³
• LogP: 3.56170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 230.899010
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-5-(trichloromethyl)pyridine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25
• Safety Statements: 26-37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-5-(trichloromethyl)pyridine

There total 20 articles about 2-Chloro-5-(trichloromethyl)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: 94.2%

3-Methylpyridine (108-99-6) → 2-chloro-5-(Trichloromethyl)-pyridine (69045-78-9)

Guidance literature:

With chlorine; sodium hydroxide; at 100 - 150 ℃; for 12h; Temperature; Inert atmosphere;

Reference yield: 70.5%

6-hydroxy-3-pyridinecarboxylic acid (5006-66-6) → 2-chloro-5-(Trichloromethyl)-pyridine (69045-78-9)

Guidance literature:

With P,P-dichlorophenylphosphine oxide; phosphorus pentachloride; at 160 ℃; for 5h;

DOI:10.1080/00397911.2016.1218897

Reference yield: 65.8%

2-Bromo-5-methylpyridine (3510-66-5) → 2-chloro-5-(Trichloromethyl)-pyridine (69045-78-9)

Guidance literature:

With chlorine; dibenzoyl peroxide; In tetrachloromethane; for 8h; Heating; Irradiation;

upstream raw materials:

2-Bromo-5-methylpyridine

3-Methylpyridine

2-chloro-5-trifluoromethylpyridine

2-chloro-5-(chloromethyl)pyridine

Downstream raw materials:

6-methoxy-nicotinic acid methyl ester

6-chloro-2-methoxy-3-pyridinecarboxaldehyde

N₁-(5-trifluoromethyl-pyridin-2-yl)-propane-1,3-diamine

N-(6-chloro-pyridin-3-yl)methyl-N-ethylamine

Refernces

• 1、 -. "Synthesis method of 2, 3-dichloro-5-trichloromethylpyridine". Paragraph 0037-0058. . Retrieved 2021/06/13.
• 2、 -. "A 2 - chloro -5 - nitrapyrin preparation method". Paragraph 0031-0032. . Retrieved 2019/03/15.