3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid

Base Information

• Chemical Name: 3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid
• CAS No.: 63734-62-3
• Molecular Formula: C14H8 Cl F3 O3
• Molecular Weight: 316.664
• European Community (EC) Number: 264-433-9
• UNII: IFR9214DL2
• DSSTox Substance ID: DTXSID4028121
• Nikkaji Number: J286.546G
• Wikidata: Q27280707
• Mol file: 63734-62-3.mol

Synonyms:63734-62-3;3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid;3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid;3-(2-chloro-4-trifluoromethylphenoxy)benzoic acid;EINECS 264-433-9;C14H8ClF3O3;UNII-IFR9214DL2;Benzoic acid, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-;IFR9214DL2;Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-;SCHEMBL3791436;3-[2-Chloro-4-(trifluoromethyl)phenoxy]- benzoic acid;DTXSID4028121;C14-H8-Cl-F3-O3;MFCD01762544;AKOS015960893;DS-5087;AC-12525;LS-36661;CS-0156880;FT-0613535;F19916;3(2-chloro-4-trifluoromethylphenoxy)benzoic acid;3(2-chloro-4-trifluoromethylphenoxy)-benzoic acid;A868050;3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoicacid;3-(2-chloro-4-trifluoromethylphenoxy)-benzoic acid;W-104882;Q27280707;3-((2-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-4-TOLYL)OXY)BENZOIC ACID

Chemical Property of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 2.94E-06mmHg at 25°C
• Boiling Point: 374°Cat760mmHg
• PKA: 3.92±0.10(Predicted)
• Flash Point: 180°C
• PSA: 46.53000
• Density: 1.452g/cm³
• LogP: 4.84930
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 316.0114063
• Heavy Atom Count: 21
• Complexity: 375

Purity/Quality:

98% or more ^*data from raw suppliers

3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)O

Technology Process of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid

There total 7 articles about 3-(2-Chloro-4-(trifluoromethyl)phenoxy)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:

1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) + 3-Carboxyphenol (99-06-9) → 3-(2-chloro-4-(trifluoromethyl)phenoxy)benzoic acid (63734-62-3)

Guidance literature:

With potassium carbonate; In methanol; nitrogen; dimethyl sulfoxide;

Reference yield:

3-(2-amino-4-trifluoromethyl)phenoxybenzoic acid → 3-(2-chloro-4-(trifluoromethyl)phenoxy)benzoic acid (63734-62-3)

Guidance literature:

3-(2-amino-4-trifluoromethyl)phenoxybenzoic acid; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 0.5h;

With copper(II) sulfate; In water; at 80 - 85 ℃;

Reference yield:

1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) + 3-(Hydroxymethyl)benzoic acid (28286-79-5) → 3-(2-chloro-4-(trifluoromethyl)phenoxy)benzoic acid (63734-62-3)

Guidance literature:

3-(Hydroxymethyl)benzoic acid; With sulfuric acid; nitric acid; sodium hydroxide; In water; dimethyl sulfoxide; Heating;

1,2-dichloro-4-(trifluoromethyl)benzene; With potassium carbonate; In water; dimethyl sulfoxide; at 145 ℃; for 2h;

upstream raw materials:

1,2-dichloro-4-(trifluoromethyl)benzene

3-Carboxyphenol

2,3-dimethyl-2,3-butane diol

2-chloro-3-nitro-5-trifluoromethylbenzene

Downstream raw materials:

2-chloro-5-(o-chloro-p-trifluoromethyl-phenoxy)-benzoic acid

1'-(ethoxycarbonyl)ethyl 3-(2-chloro-4-trifluoromethylphenoxy)benzoate

acifluorfen

methyl 3-(2-chloro-4-trifluoromethylphenoxy)benzoate

Refernces

• 1、 -. "Preparation process of acifluorfen". Paragraph 0026-0029; 0032-0034; 0037-0039. . Retrieved 2020/10/14.
• 2、 -. "Process for the preparation of diphenyl ether compounds". . . Retrieved 2008/06/13.