2-hydroxy-5-(trifluoromethyl)benzoic Acid

Base Information

• Chemical Name: 2-hydroxy-5-(trifluoromethyl)benzoic Acid
• CAS No.: 79427-88-6
• Molecular Formula: C8H5F3O3
• Molecular Weight: 206.121
• Hs Code.: 2918290000
• European Community (EC) Number: 630-120-4
• DSSTox Substance ID: DTXSID70455806
• Nikkaji Number: J1.594.349A
• Wikidata: Q82277950
• Mol file: 79427-88-6.mol

Synonyms:2-hydroxy-5-(trifluoromethyl)benzoic Acid;79427-88-6;2-Hydroxy-5-trifluoromethylbenzoic acid;MFCD07787570;Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-;2-Hydroxy-5-(trifluoromethyl)benzoicacid;2-Hydroxy-5-Trifluoromethyl Benzoic Acid;SCHEMBL130628;YQDOJQUHDQGQPH-UHFFFAOYSA-;DTXSID70455806;YQDOJQUHDQGQPH-UHFFFAOYSA-N;5-TRIFLUOROMETHYLSALICYLIC ACID;AKOS015890461;CS-W018876;FS-3335;MB05102;AC-28557;SY046779;2-hydroxy-5 (trifluoromethyl)-benzoic acid;FT-0652888;EN300-124954;A839685;J-509644;InChI=1/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)

Chemical Property of 2-hydroxy-5-(trifluoromethyl)benzoic Acid

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.51
• Boiling Point: 292.761 °C at 760 mmHg
• PKA: 2.55±0.10(Predicted)
• Flash Point: 130.857 °C
• PSA: 57.53000
• Density: 1.539 g/cm³
• LogP: 2.10920
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.3
• 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

2-Hydroxy-5-(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)C(=O)O)O
• Uses: 2-Hydroxy-5-(trifluoromethyl)benzoic acid

Technology Process of 2-hydroxy-5-(trifluoromethyl)benzoic Acid

There total 11 articles about 2-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: 93.0%

3-(trifluoromethyl)benzoic acid (454-92-2) → 2-hydroxy-5-(trifluoromethyl)benzoic acid (79427-88-6)

Guidance literature:

With oxygen; potassium acetate; palladium diacetate; p-benzoquinone; In N,N-dimethyl acetamide; at 115 ℃; for 15h; under 3800.26 Torr;

DOI:10.1021/ja907198n

Reference yield: 93.0%

2-methoxymethoxy-5-(trifluoromethyl)benzoic acid (368422-27-9) → 2-hydroxy-5-(trifluoromethyl)benzoic acid (79427-88-6)

Guidance literature:

With boron trifluoride diethyl etherate; In methanol; at 25 ℃; for 15h;

DOI:10.1002/1099-0690(200108)2001:15<2911::AID-EJOC2911>3.0.CO;2-W

Reference yield: 65.0%

carbon dioxide (124-38-9,18923-20-1) + 3-Trifluoromethylphenol (98-17-9) → 2-hydroxy-5-(trifluoromethyl)benzoic acid (79427-88-6)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; potassium tert-butylate; In hexane; at 10 ℃; for 0.5h;

DOI:10.1002/1099-0690(200108)2001:15<2911::AID-EJOC2911>3.0.CO;2-W

upstream raw materials:

methyl 2-methoxy-5-(trifluoromethyl)benzoate

carbon dioxide

3-Trifluoromethylphenol

2-[(4-trifluoromethyl)phenoxy]tetrahydro-2H-pyrane

Downstream raw materials:

(4-fluorophenyl)methyl 2-{[(4-fluorophenyl)methyl]oxy}-5-(trifluoromethyl)benzoate

4-hydroxybenzotrifluoride

C₉H₇F₃O₃

2-{[(4-fluorophenyl)methyl]oxy}-N-3-pyridinyl-5-(trifluoromethyl)benzamide