2-chloro-6-(trifluoromethyl)benzoic Acid

Base Information

• Chemical Name: 2-chloro-6-(trifluoromethyl)benzoic Acid
• CAS No.: 2376-00-3
• Molecular Formula: C8H4ClF3O2
• Molecular Weight: 224.567
• Hs Code.: 2916399090
• European Community (EC) Number: 681-864-1
• DSSTox Substance ID: DTXSID40456229
• Nikkaji Number: J724.664A
• Wikidata: Q82278515
• Mol file: 2376-00-3.mol

Synonyms:2-chloro-6-(trifluoromethyl)benzoic Acid;2376-00-3;2-Chloro-6-trifluoromethylbenzoic acid;2-Chloro-6-(trifluoromethyl)be;Benzoic acid, 2-chloro-6-(trifluoromethyl)-;MFCD06208254;SCHEMBL784920;6-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-O-TOLUIC ACID;AMY2974;DTXSID40456229;CAA37600;2-trifluoromethyl-6-chlorobenzoic acid;AKOS015956484;CS-W014704;PB42310;2-chloro-6-(trifluoromethyl)benzoicAcid;AS-18833;SY104842;FT-0735165;EN300-148888;2-Chloro-6-(trifluoromethyl)benzoicacid,jrd,97%;A856721

Chemical Property of 2-chloro-6-(trifluoromethyl)benzoic Acid

Chemical Property:

• Melting Point: 123-125℃
• Boiling Point: 255.6±40.0 °C(Predicted)
• PKA: 2.04±0.36(Predicted)
• PSA: 37.30000
• Density: 1.523±0.06 g/cm3(Predicted)
• LogP: 3.05700
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 223.9851915
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-6-(trifluoromethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-chloro-6-(trifluoromethyl)benzoic Acid

There total 3 articles about 2-chloro-6-(trifluoromethyl)benzoic 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: 80.0%

carbon dioxide (124-38-9,18923-20-1) + 3-chlorotrifluoromethylbenzene (98-15-7) → 2-chloro-6-(trifluoromethyl)benzoic acid (2376-00-3)

Guidance literature:

With n-butyllithium; at -75 ℃; for 3h;

DOI:10.1016/0040-4039(96)00415-7

Reference yield:

3-chlorotrifluoromethylbenzene (98-15-7) → 2-chloro-6-(trifluoromethyl)benzoic acid (2376-00-3)

Guidance literature:

3-chlorotrifluoromethylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -50 ℃; for 1h;

With sodium hydroxide; In tetrahydrofuran; hexane; water;

Reference yield:

[2-chloro-6-(trifluoromethyl)benzene]lithium (380611-49-4) + carbon dioxide (124-38-9,18923-20-1) → 2-chloro-6-(trifluoromethyl)benzoic acid (2376-00-3)

Guidance literature:

[2-chloro-6-(trifluoromethyl)benzene]lithium; carbon dioxide; In tetrahydrofuran; at -60 ℃; for 0.5h;

With hydrogenchloride; In tetrahydrofuran; water; pH=3.4;

upstream raw materials:

carbon dioxide

3-chlorotrifluoromethylbenzene

[2-chloro-6-(trifluoromethyl)benzene]lithium

Refernces

• 1、 -. "METHOD FOR METAL-ORGANIC PRODUCTION OF ORGANIC INTERMEDIATE PRODUCTS BY MEANS OF ARYL LITHIUM-BASES". Page/Page column 14. . Retrieved 2010/02/06.
• 2、 -. "2-[(2',6'-Disubstituted-phenyl)-imino]-imidazolidines and salts thereof". . . Retrieved 2008/06/13.