3-hydroxy-5-(trifluoromethyl)benzoic Acid

Base Information

• Chemical Name: 3-hydroxy-5-(trifluoromethyl)benzoic Acid
• CAS No.: 328-69-8
• Molecular Formula: C8H5 F3 O3
• Molecular Weight: 206.121
• Hs Code.: 2918290000
• European Community (EC) Number: 630-027-9
• DSSTox Substance ID: DTXSID00382459
• Wikidata: Q72482019
• ChEMBL ID: CHEMBL2146907
• Mol file: 328-69-8.mol

Synonyms:3-hydroxy-5-(trifluoromethyl)benzoic Acid;328-69-8;3-Hydroxy-5-trifluoromethylbenzoic acid;CHEMBL2146907;Benzoic acid, 3-hydroxy-5-(trifluoromethyl)-;MFCD07368783;3-Hydroxy-5-trifluoromethyl-benzoic acid;3-hydroxy-5-trifluoromethylbenzoicacid;SCHEMBL477824;DTXSID00382459;BBL101599;BDBM50391821;CL8089;STL555395;AKOS005259697;AB32076;AM84002;CS-W015347;FS-2057;3-hydroxy-5-(trifluoromethyl)benzoicAcid;5-hydroxy-3-trifluoromethyl-benzoic acid;AC-26052;3-Hydroxy-5-(trifluoromethyl)?benzoic acid;A5872;FT-0651162;EN300-213304;Z1269199787

Chemical Property of 3-hydroxy-5-(trifluoromethyl)benzoic Acid

Chemical Property:

• Vapor Pressure: 5.32E-05mmHg at 25°C
• Melting Point: 191-193°C
• Refractive Index: 1.509
• Boiling Point: 333.7°Cat760mmHg
• PKA: 3.65±0.10(Predicted)
• Flash Point: 155.6°C
• PSA: 57.53000
• Density: 1.539g/cm³
• LogP: 2.10920
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 206.01907850
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

3-Hydroxy-5-(trifluoromethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-hydroxy-5-(trifluoromethyl)benzoic Acid

There total 7 articles about 3-hydroxy-5-(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: 64.0%

3-(benzyloxy)-5-(trifluoromethyl)benzoic acid (53985-39-0) → 3-hydroxy-5-(trifluoromethyl)benzoic acid (328-69-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 9h;

Reference yield:

3-amino-5-(trifluoromethyl)benzoic acid (328-68-7) → 3-hydroxy-5-(trifluoromethyl)benzoic acid (328-69-8)

Guidance literature:

3-amino-5-(trifluoromethyl)benzoic acid; With sulfuric acid; In water;

With sodium nitrite; In water; at -10 - 0 ℃; for 1.66667h; Heating / reflux;

Reference yield:

→ 3-hydroxy-5-(trifluoromethyl)benzoic acid (328-69-8)

Guidance literature:

With sulfuric acid;

DOI:10.1177/1077559501006004009

upstream raw materials:

3-amino-5-(trifluoromethyl)benzoic acid

3-(benzyloxy)-5-(trifluoromethyl)benzoic acid

ethyl 3-fluoro-5-(trifluoromethyl)benzoate

3-fluoro-5-(trifluoromethyl)benzoic acid

Downstream raw materials:

3Phenacyloxy-5-trifluoromethylbenzoic Acid

3-methoxy-5-(trifluoromethyl)benzoic acid

3-hydroxy-N-[3-(1H-tetrazol-5-yl)-phenyl]-5-trifluoromethyl-benzamide

4-chloro-3-(prop-2-yn-1-yloxy)aniline

Refernces

• 1、 -. "HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL". Page/Page column 82. . Retrieved 2015/09/28.
• 2、 -. "NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME". Page/Page column 78. . Retrieved 2010/11/27.