2,6-dichloro-3-(trifluoromethyl)benzoic Acid

Base Information

• Chemical Name: 2,6-dichloro-3-(trifluoromethyl)benzoic Acid
• CAS No.: 25922-41-2
• Molecular Formula: C8H3 Cl2 F3 O2
• Molecular Weight: 259.0094296
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10470518
• Wikidata: Q82298630
• Mol file: 25922-41-2.mol

Synonyms:2,6-dichloro-3-(trifluoromethyl)benzoic Acid;25922-41-2;2,6-Dichloro-3-trifluoromethylbenzoic acid;2,6-Dichloro-3-(trifluoromethyl)-benzoic acid;2,6-Dichloro-3-(trifluoromethyl)benzoicacid;2,6-Dichloro-3-trifluoromethyl-benzoic acid;SCHEMBL3236266;DTXSID10470518;WRNSEKNHEIXBES-UHFFFAOYSA-N;MFCD09743917;AKOS015890609;JS-4852;FT-0650157;2, 6-dichloro-3-(trifluoromethyl)benzoic acid;E90226;Benzoic acid, 2,6-dichloro-3-(trifluoromethyl)-;2 pound not6-dichloro-3-(trifluoromethyl)benzoicacid

Chemical Property of 2,6-dichloro-3-(trifluoromethyl)benzoic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 98-102℃
• Refractive Index: 1.514
• Boiling Point: 301.364°C at 760 mmHg
• PKA: 1.17±0.25(Predicted)
• Flash Point: 136.06°C
• PSA: 37.30000
• Density: 1.625g/cm³
• LogP: 3.71040
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 257.9462192
• Heavy Atom Count: 15
• Complexity: 257

Purity/Quality:

98% ^*data from raw suppliers

2,6-Dichloro-3-(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(=C1C(F)(F)F)Cl)C(=O)O)Cl

Technology Process of 2,6-dichloro-3-(trifluoromethyl)benzoic Acid

There total 2 articles about 2,6-dichloro-3-(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: 75.0%

carbon dioxide (124-38-9,18923-20-1) + 2,4-dichloro-benzotrifluoride (320-60-5) → 2,6-dichloro-3-(trifluoromethyl)benzoic acid (25922-41-2)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -75 ℃;

DOI:10.1002/ejoc.200500240

Reference yield:

→ 2,6-dichloro-3-(trifluoromethyl)benzoic acid (25922-41-2)

Guidance literature:

entspr.Li-Verb., CO2;

Reference yield:

2,6-dichloro-3-(trifluoromethyl)benzoic acid (25922-41-2) → 2,6-dichloro-3-trifluoromethylbenzoic acid chloride (53012-82-1)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 70 - 75 ℃; for 3h; Large scale reaction;

DOI:10.1021/op200378r

upstream raw materials:

carbon dioxide

2,4-dichloro-benzotrifluoride

Downstream raw materials:

2,6-dichloro-3-trifluoromethylbenzoic acid chloride

Refernces