2-Chloro-6-(trifluoromethyl)isonicotinic acid

Base Information

• Chemical Name: 2-Chloro-6-(trifluoromethyl)isonicotinic acid
• CAS No.: 796090-23-8
• Molecular Formula: C₇H₃ClF₃NO₂
• Molecular Weight: 225.555
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID50459100
• Nikkaji Number: J2.126.889E
• Wikidata: Q82282720
• Mol file: 796090-23-8.mol

Synonyms:796090-23-8;2-Chloro-6-(trifluoromethyl)isonicotinic acid;2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic Acid;2-chloro-6-trifluoromethyl-isonicotinic acid;MFCD13188811;SCHEMBL3243480;DTXSID50459100;OMXMPMNUSMLQQS-UHFFFAOYSA-N;AMY34743;AKOS016008866;AB67172;AC-29101;AS-47358;SY097629;2-Chloro-6-trifluoromethylisonicotinic acid;2-Chloro-6-(trifluoromethyl)isonicotinicacid;CS-0051936;EN300-114361;F13423;2-(Trifluoromethyl)-6-chloropyridine-4-carboxylic acid;Z1269110217

Chemical Property of 2-Chloro-6-(trifluoromethyl)isonicotinic acid

Chemical Property:

• Melting Point: 116-118 °C(Solv: hexane (110-54-3))
• Boiling Point: 348.7±42.0 °C(Predicted)
• PKA: 2.57±0.10(Predicted)
• PSA: 50.19000
• Density: 1.603±0.06 g/cm3(Predicted)
• LogP: 2.45200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 224.9804405
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-(trifluoromethyl)pyridine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(N=C1C(F)(F)F)Cl)C(=O)O

Technology Process of 2-Chloro-6-(trifluoromethyl)isonicotinic acid

There total 4 articles about 2-Chloro-6-(trifluoromethyl)isonicotinic 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: 74.0%

carbon dioxide (124-38-9,18923-20-1) + 2-chloro-4-iodo-6-(trifluoromethyl)pyridine (205444-22-0) → 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid (796090-23-8)

Guidance literature:

2-chloro-4-iodo-6-(trifluoromethyl)pyridine; With n-butyllithium; butyl magnesium bromide; In tetrahydrofuran; hexane; at 0 ℃; for 0.0833333h;

carbon dioxide; In tetrahydrofuran; hexane;

With hydrogenchloride; In tetrahydrofuran; hexane; Further stages.;

DOI:10.1002/ejoc.200400066

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 2-chloro-6-trifluoromethylpyridine (39890-95-4) → 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid (280566-45-2) + 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid (796090-23-8)

Guidance literature:

2-chloro-6-trifluoromethylpyridine; With lithium chloride; In tetrahydrofuran; at 20 ℃; for 1h;

carbon dioxide; In tetrahydrofuran;

Reference yield:

2-chloro-6-(trifluoromethyl)isonicotinonitrile (1196155-38-0) → 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid (796090-23-8)

Guidance literature:

With hydrogenchloride; water; at 70 ℃; for 5h;

upstream raw materials:

carbon dioxide

2-chloro-4-iodo-6-(trifluoromethyl)pyridine

2-chloro-3-iodo-6-(trifluoromethyl)pyridine

2-chloro-6-trifluoromethylpyridine

Downstream raw materials:

[2-chloro-6-(trifluoromethyl)pyridin-3-yl]methanol

[2-chloro-6-(trifluoromethyl)pyridin-4-yl]methanol

2-methylsulfanyl-6-(trifluoromethyl)pyridine-4-carboxylic acid

1-(2-chloro-6-(trifluoromethyl)pyridin-4-yl)ethan-1-one

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 796090-23-8 2-chloro-6-(trifluoroMethyl)isonicotinic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send