4-hydroxy-2-(trifluoromethyl)benzoic Acid

Base Information

• Chemical Name: 4-hydroxy-2-(trifluoromethyl)benzoic Acid
• CAS No.: 320-32-1
• Molecular Formula: C8H5F3O3
• Molecular Weight: 206.121
• Hs Code.: 2918290000
• European Community (EC) Number: 630-015-3
• DSSTox Substance ID: DTXSID00379389
• Wikidata: Q72482017
• Mol file: 320-32-1.mol

Synonyms:4-hydroxy-2-(trifluoromethyl)benzoic Acid;320-32-1;4-HYDROXY-2-TRIFLUOROMETHYLBENZOIC ACID;Benzoic acid, 4-hydroxy-2-(trifluoromethyl)-;MFCD01091007;4-Hydroxy-2-(trifluoromethyl)benzoicAcid;SCHEMBL187787;DTXSID00379389;4-Cbz-Morpholine-3-carboxylicacid;CL8121;AKOS009157829;AM84153;CS-W008376;PS-8086;2-Trifluoromethyl-4-hydroxybenzoic acid;4-hydroxy-2-trifluoromethyl-benzoic acid;AC-26053;SY018811;FT-0631946;A20362;J-515471;4-Hydroxy-2-(trifluoromethyl)benzoic acid, AldrichCPR

Chemical Property of 4-hydroxy-2-(trifluoromethyl)benzoic Acid

Chemical Property:

• Vapor Pressure: 0.000114mmHg at 25°C
• Melting Point: 159-161°C
• Refractive Index: 1.509
• Boiling Point: 322.6 °C at 760 mmHg
• PKA: 3.60±0.36(Predicted)
• Flash Point: 148.9 °C
• PSA: 57.53000
• Density: 1.539 g/cm³
• LogP: 2.10920
• Water Solubility.: Slightly soluble in water.
• 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:

97% ^*data from raw suppliers

4-Hydroxy-2-(trifluoromethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-51
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)C(F)(F)F)C(=O)O
• Uses: 4-Hydroxy-2-(trifluoromethyl)benzoic acid is used in pharm industry.

Technology Process of 4-hydroxy-2-(trifluoromethyl)benzoic Acid

There total 3 articles about 4-hydroxy-2-(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:

4-methoxy-2-(trifluoromethyl)benzoic acid (127817-85-0) → 4-hydroxy-2-(trifluoromethyl)benzoic acid (320-32-1)

Guidance literature:

With boron tribromide; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane;

Reference yield:

→ 4-hydroxy-2-(trifluoromethyl)benzoic acid (320-32-1)

Guidance literature:

With water;

DOI:10.1177/1077559501006004009

Reference yield:

→ 4-hydroxy-2-(trifluoromethyl)benzoic acid (320-32-1)

Guidance literature:

aus RN2⁺;

upstream raw materials:

4-methoxy-2-(trifluoromethyl)benzoic acid