2-hydroxy-5-(trifluoromethoxy)benzoic Acid

Base Information

• Chemical Name: 2-hydroxy-5-(trifluoromethoxy)benzoic Acid
• CAS No.: 129644-57-1
• Molecular Formula: C8H5F3O4
• Molecular Weight: 222.121
• Hs Code.: 2918990090
• European Community (EC) Number: 642-555-7
• UNII: 5U7H38I0VB
• DSSTox Substance ID: DTXSID20379381
• Nikkaji Number: J2.158.991H
• Wikidata: Q82169164
• Mol file: 129644-57-1.mol

Synonyms:5-trifluoromethoxysalicylic acid

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

Chemical Property:

• Vapor Pressure: 0.000878mmHg at 25°C
• Melting Point: 130-132oC
• Boiling Point: 291.7oC at 760 mmHg
• Flash Point: 130.2oC
• PSA: 66.76000
• Density: 1.577g/cm3
• LogP: 1.98900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 222.01399312
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

2-Hydroxy-5-(trifluoromethoxy)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-43-25
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)O

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

There total 6 articles about 2-hydroxy-5-(trifluoromethoxy)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: 91.0%

2-hydroxy-5-(trifluoromethoxy)benzaldehyde (93249-62-8) → TFMSA (129644-57-1)

Guidance literature:

With sodium hydroxide; silver nitrate; In water; at 0 ℃; for 0.166667h;

DOI:10.1016/j.bmc.2004.07.062

Reference yield: 83.0%

carbon dioxide (124-38-9,18923-20-1) + 4-Trifluoromethoxyphenol (828-27-3) → TFMSA (129644-57-1)

Guidance literature:

With potassium carbonate; at 190 ℃;

DOI:10.1248/cpb.44.734

Reference yield:

2-methoxy-5-(trifluoromethoxy)benzoic acid (191604-88-3) → TFMSA (129644-57-1)

Guidance literature:

2-methoxy-5-(trifluoromethoxy)benzoic acid; With boron tribromide; In dichloromethane; at 0 ℃; for 16h;

With hydrogenchloride; In dichloromethane; water; pH=0;

upstream raw materials:

carbon dioxide

4-Trifluoromethoxyphenol

2-hydroxy-5-(trifluoromethoxy)benzaldehyde

1-(methoxymethoxy)-4-(trifluoromethoxy)benzene

Downstream raw materials:

methyl 2-hydroxy-5-(trifluoromethoxy)benzoate

methyl 3-amino-2-hydroxy-5-(trifluoromethoxy)benzoate

methyl 2-hydroxy-3-nitro-5-(trifluoromethoxy)benzoate

(2-Hydroxy-5-trifluoromethoxy-phenyl)-pyridin-2-yl-methanone

Refernces

• 1、 -. "Metabolites of (+)-(2S,3S)-3(2-methoxy-5- trifluoromethoxybenzylamino)-2-phenyl-piperidine". Page/Page column 11. . Retrieved 2010/02/14.
• 2、 -. "Substituted phenoxyacetic acids". . . Retrieved 2008/06/13.