2,5,6-Trichloronicotinic acid

Base Information

• Chemical Name: 2,5,6-Trichloronicotinic acid
• CAS No.: 54718-39-7
• Molecular Formula: C6H2Cl3NO2
• Molecular Weight: 226.446
• Hs Code.: 2933399090
• European Community (EC) Number: 823-455-4
• DSSTox Substance ID: DTXSID50400571
• Wikidata: Q72510309
• Mol file: 54718-39-7.mol

Synonyms:2,5,6-trichloronicotinic acid;54718-39-7;2,5,6-trichloropyridine-3-carboxylic Acid;3-Pyridinecarboxylic acid, 2,5,6-trichloro-;MFCD02070018;2,5,6-Trichloro-3-pyridinecarboxylic acid;2,5,6-trichloronicotinicacid;SCHEMBL2566963;AMY6212;DTXSID50400571;XMJRZCYSCMZVJQ-UHFFFAOYSA-N;AKOS016007169;CS-W019671;AC-27227;AS-20076;SY034400;3-Pyridinecarboxylic acid,2,5,6-trichloro-;FT-0688472;T-6380;AJ-333/09217028

Chemical Property of 2,5,6-Trichloronicotinic acid

Chemical Property:

• Melting Point: 158-161 °C
• Boiling Point: 359.1 °C at 760 mmHg
• PKA: 1.35±0.32(Predicted)
• Flash Point: 171 °C
• PSA: 50.19000
• Density: 1.728 g/cm³
• LogP: 2.74000
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.915111
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

97% ^*data from raw suppliers

2,5,6-TrichloronicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O
• Description: It has been reported that on treatment with lithium aluminium hydride pentafluoropyridine gives 2,5,6-tetrafluoropyridine and that further reduction occurs at the 2-position as expected from a hydride attack.
• Uses: 2,5,6-tetrachloropyridine belongs to carboxylic acid organic compounds and can be used as pharmaceutical intermediates.

Technology Process of 2,5,6-Trichloronicotinic acid

There total 8 articles about 2,5,6-Trichloronicotinic acid 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: 86.0%

Hg(NO3)2 + 5H2 O + 2,5,6-trichloro-3-chloromethylpyridine (52465-59-5) → 2,5,6-Trichloronicotinic Acid (54718-39-7)

Guidance literature:

With CuSO₄; nitric acid;

Reference yield: 50.0%

3-methyl-piperidine-2,6-dione (29553-51-3) → 2,5,6-Trichloronicotinic Acid (54718-39-7)

Guidance literature:

3-methyl-piperidine-2,6-dione; With N-Bromosuccinimide; In tetrachloromethane; for 4h; Irradiation;

With mercurous nitrate; nitric acid; copper(II) sulfate; In sulfuric acid; at 130 ℃; for 0.25h; 50;

DOI:10.1016/S0968-0896(02)00022-6

Reference yield: 18.0%

2,5,6-trichloro-3-methylpyridine (58584-95-5) → 2,5,6-Trichloronicotinic Acid (54718-39-7)

Guidance literature:

2,5,6-trichloro-3-methylpyridine; With potassium permanganate; In water; at 100 ℃; for 60h;

With hydrogenchloride; In water; at 0 ℃; pH=1 - 2;

upstream raw materials:

3-methyl-piperidine-2,6-dione

2,5,6-trichloro-3-chloromethylpyridine

2,5,6-trichloro-3-methylpyridine

2,3,6-trichloro-5-(trichloromethyl)pyridine