2,4,6-Trifluorophenol

Base Information

• Chemical Name: 2,4,6-Trifluorophenol
• CAS No.: 2268-17-9
• Molecular Formula: C6H3F3O
• Molecular Weight: 148.084
• Hs Code.: 29081000
• European Community (EC) Number: 627-444-3
• DSSTox Substance ID: DTXSID00334211
• Nikkaji Number: J709.606B
• Wikidata: Q72513184
• ChEMBL ID: CHEMBL236138
• Mol file: 2268-17-9.mol

Synonyms:2,4,6-Trifluorophenol;2268-17-9;Phenol, 2,4,6-trifluoro-;2,4,6-Trifluoro-phenol;MFCD00061216;SCHEMBL78286;CHEMBL236138;2,4,6-Trifluorophenol, 99%;DTXSID00334211;SR-1C12;AKOS006221430;AC-3819;AM61850;JS-4098;BP-11128;A4846;FT-0609870;EN300-1826322;J-014807

Chemical Property of 2,4,6-Trifluorophenol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 8.89mmHg at 25°C
• Melting Point: 49-51 °C(lit.)
• Refractive Index: 1.471
• Boiling Point: 128.1 °C at 760 mmHg
• Flash Point: 55.1 °C
• PSA: 20.23000
• Density: 1.473 g/cm³
• LogP: 1.80950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 148.01359920
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trifluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)O)F)F
• Uses: 2,4,6-Trifluorophenol may be used in an indirect enzyme-linked immunosorbent assay (ELISA) for the biological monitoring of 2,4,6-trichlorophenol.

Technology Process of 2,4,6-Trifluorophenol

There total 6 articles about 2,4,6-Trifluorophenol 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: 72.0%

2,4,6-trifluorophenylboronic acid (182482-25-3) → 2,4,6-trifluorophenol (2268-17-9)

Guidance literature:

With dihydrogen peroxide; In dichloromethane; water; at 20 - 25 ℃; for 20h; Temperature; Reagent/catalyst; Inert atmosphere;

Reference yield:

1,3,5-trifluorobenzene (372-38-3) → 3,5-difluorophenol (2713-34-0) + 2,4,6-trifluorophenol (2268-17-9)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 60 ℃; for 15h; Catalytic behavior;

DOI:10.1021/ja505437h

Reference yield:

1,3,5-trifluorobenzene (372-38-3) → 3,5-difluorophenol (2713-34-0) + 2,4,6-trifluorophenol (2268-17-9) + 4,6-difluoro-cyclohexa-2,5-diene-1,2-diol (175359-17-8) + 5'-fluoro-biphenyl-3,5,3'-triol

Guidance literature:

With dihydrogen peroxide; oxygen; In water; pH=5; Kinetics; Photolysis; 254 nm;

DOI:10.1016/0045-6535(96)00011-2

upstream raw materials:

2,4,6-trifluoroanisole

1,3,5-trifluorobenzene

2,4,6-trifluorophenylboronic acid

Downstream raw materials:

C₂₇H₃₁F₃O₅

C₁₈H₈BrF₃N₂OS

(2,4,6-trifluoro-phenoxy)-acetic acid