2,3,5,6-Tetrafluoroisonicotinic acid

Base Information

• Chemical Name: 2,3,5,6-Tetrafluoroisonicotinic acid
• CAS No.: 2875-10-7
• Molecular Formula: C₆HF₄NO₂
• Molecular Weight: 195.073
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID70380245
• Wikidata: Q82170401
• Mol file: 2875-10-7.mol

Synonyms:2,3,5,6-Tetrafluoroisonicotinic acid;2875-10-7;2,3,5,6-tetrafluoropyridine-4-carboxylic Acid;tetrafluoropyridine-4-carboxylic acid;Perfluoroisonicotinic acid;DTXSID70380245;2,3,5,6-Tetrafluoroisonicotinicacid;MFCD01320762;AKOS005071640;AS-0050;SB52968;CS-0309052;FT-0680824;EN300-154023;J-506877;Z1201621005;2,3,5,6-tetrafluoropyridine-4-carboxylic acid, AldrichCPR

Chemical Property of 2,3,5,6-Tetrafluoroisonicotinic acid

Chemical Property:

• Vapor Pressure: 4.43E-05mmHg at 25°C
• Refractive Index: 1.469
• Boiling Point: 336.3°Cat760mmHg
• PKA: 0.83±0.10(Predicted)
• Flash Point: 157.2°C
• PSA: 50.19000
• Density: 1.741g/cm³
• LogP: 1.33620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 194.99434092
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

98%Min ^*data from raw suppliers

2,3,5,6-Tetrafluoroisonicotinic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=NC(=C1F)F)F)F)C(=O)O

Technology Process of 2,3,5,6-Tetrafluoroisonicotinic acid

There total 14 articles about 2,3,5,6-Tetrafluoroisonicotinic 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: 59.0%

carbon dioxide (124-38-9,18923-20-1) + (2,3,5,6-tetrafluoro pyridyl) magnesiumbromide (31103-36-3) → tetrafluoroisonicotinic acid (2875-10-7)

Guidance literature:

In tetrahydrofuran; reaction at -10°C, 2 hours;;

DOI:10.1039/JR9650005040

Reference yield: 47.0%

(2,3,5,6-tetrafluoro pyridyl) magnesiumiodide (18303-86-1) + carbon dioxide (124-38-9,18923-20-1) → tetrafluoroisonicotinic acid (2875-10-7)

Guidance literature:

In tetrahydrofuran; reaction at -15°C, 3 hours, warming to 20°C, 1 hour;;

DOI:10.1039/JR9650005040

Reference yield: 9.0%

4-propenyltetrafluoropyridine (72378-95-1) → 2,3,5,6-tetrafluoropyridine-4-carboxaldehyde (16297-09-9) + tetrafluoroisonicotinic acid (2875-10-7)

Guidance literature:

4-propenyltetrafluoropyridine; With ozone; In ethyl acetate;

With Pd-BaSO₄; hydrogen;

DOI:10.1016/j.jfluchem.2011.05.028

upstream raw materials:

carbon dioxide

sulfuric acid

(2,3,5,6-tetrafluoro pyridyl) magnesiumbromide

(2,3,5,6-tetrafluoro pyridyl) magnesiumiodide

Refernces

• 1、 Timperley, Christopher M.,Banks, R. Eric,Young, Ian M.,Haszeldine, Robert N.. "Synthesis of some fluorine-containing pyridinealdoximes of potential use for the treatment of organophosphorus nerve-agent poisoning". scheme or table. p. 541 - 547. Retrieved 2011/09/15.