2268-17-9

Basic information

• Product Name: 2,4,6-Trifluorophenol
• Synonyms: 2,4,6-TRIFLUOROPHENOL;Phenol, 2,4,6-trifluoro-;2,4,6-Trifluorophenol 99%;2,4,6-Trifluorophenol99%;2,4,6-Trifluorophenol, 99% 1GR
• CAS NO: 2268-17-9
• Molecular Formula: C₆H₃F₃O
• Molecular Weight: 148.08
• Product Categories: Aromatic Phenols;Phenol&Thiophenol&Mercaptan;Organic Building Blocks;Oxygen Compounds;Phenols
• Mol File: 2268-17-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 49-51 °C(lit.)
• Boiling Point: 128.1 °C at 760 mmHg
• Flash Point: 55.1 °C
• Appearance: white to light yellow crystal powder
• Density: 1.4585 (estimate)
• Vapor Pressure: 8.89mmHg at 25°C
• Refractive Index: 1.471
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• BRN: 2089551
• CAS DataBase Reference: 2,4,6-Trifluorophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-Trifluorophenol(2268-17-9)
• EPA Substance Registry System: 2,4,6-Trifluorophenol(2268-17-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-37/39
• RIDADR: 1325
• WGK Germany: 3
• HazardClass: 4.1
• PackingGroup: III
• Hazardous Substances Data: 2268-17-9(Hazardous Substances Data)

Usage

Description

2,4,6-Trifluorophenol is a halogen-substituted phenol characterized by its white to light yellow crystal powder appearance. It has been studied for its chemical properties, including peroxidase oxidation, and its interactions with phenol have been investigated using 1Hand 19F-NMR spectroscopy.

Uses

Used in Environmental Monitoring:
2,4,6-Trifluorophenol is used as a chemical marker for the biological monitoring of 2,4,6-trichlorophenol, a harmful environmental pollutant. This application is particularly relevant in the field of environmental science and public health, as it aids in the detection and management of toxic substances.
Used in Analytical Chemistry:
In the field of analytical chemistry, 2,4,6-Trifluorophenol may be utilized in indirect enzyme-linked immunosorbent assay (ELISA) techniques. This application takes advantage of its chemical properties to facilitate the detection and quantification of specific target molecules, contributing to the advancement of chemical analysis methods.
Used in Pharmaceutical Research:
Due to its unique chemical structure and properties, 2,4,6-Trifluorophenol may also hold potential in the development of new pharmaceutical compounds. Its halogen substitution could provide novel interactions with biological targets, making it a valuable starting point for drug discovery and design in the pharmaceutical industry.

InChI:InChI=1/C6H3F3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Upstream product

• 219998-30-8 2,4,6-trifluoroanisole 
• 372-38-3 1,3,5-trifluorobenzene 
• 182482-25-3 2,4,6-trifluorophenylboronic acid 

Downstream Products

• 319-52-8 (2,4,6-trifluoro-phenoxy)-acetic acid 
• 1043929-20-9 C₁₈H₈BrF₃N₂OS 
• 1166864-60-3 C₂₇H₃₁F₃O₅ 
• 1171823-84-9 (S)-ethyl 1-(1-(tert-butyldimethylsilyloxy)-3-methylbutan-2-yl)-7-methoxy-4-oxo-6-((2,4,6-trifluorophenoxy)methyl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate 
• 100-02-7 4-nitro-phenol 
• 1204677-45-1 BOC-(S)-3-[(R)-phenyl-(2,4,6-trifluorophenoxy)methyl]pyrrolidine 
• 1186393-82-7 C₆H₄F₃NO₃S 
• 1227056-86-1 4-[2-(2,4,6-trifluorophenoxymethyl)phenyl]piperidine-1-carboxylic acid tert-butyl ester 
• 1227056-85-0 4-[2-(2,4,6-Trifluorophenoxymethyl)phenyl]piperidine Trifluroacetic Acid Salt 
• 1227304-32-6 4-[4-fluoro-2-(2,4,6-trifluorophenoxymethyl)phenyl]piperidine trifluoroacetate 
• 1229627-70-6 B(OC₆H₂F₃)3 
• 1266659-64-6 [Zr(O-2,4,6-F₃C₆H₂)4(HO-iPr)]2 
• 1203952-51-5 2-methyl-2-(2,4,6-trifluorophenoxy)propanoic acid 
• 1203955-98-9 C₁₂H₁₃F₃O₃ 

Relevant articles and documents

Synthetic method for 2,4,6-trifluorophenol

The invention relates to the technical field of organic synthesis, in particular to a synthetic method for 2,4,6-trifluorophenol. The synthetic method comprises the following steps of (1) sequentiallyperforming hydrogen removal reaction and reaction with

Kinetics and mechanisms of the photolytic and OH° radical induced oxidation of fluorinated aromatic compounds in aqueous solutions

Laboratory experiments with H2O2/UV oxidation processes and photolysis at 253.7 nm wavelength have been carried out on dilute aqueous solutions (C0 = 0.1 to 3.0 mM) of trifluorobenzene derivatives (1,3,5-trifluorobenzene, 1,2,3 and 1,2,4-trifluorobenzene) and of α,α,α-trifluorotoluene in the presence and in the absence of dissolved oxygen. The analyses of fluoride ions content during the oxidation experiments showed that the first steps lead to the production of about 2 mol of F-/mol of trifluorobenzene decomposed and of 1 mol of F-/mol of trifluorotoluene decomposed. Kinetic studies lead to the determination of the quantum yield for the photolysis of 1,3,5-trifluorobenzene, 1,2,3 and 1,2,4-trifluorobenzene (Φ = 0.011, 0.010 and 0.015 respectively), and of trifluorotoluene (Φ = 0.015). The rate constants for the reaction of hydroxyl radicals with these molecules, determined under specific experimental conditions, were found to range from 3.7 109 to 4.9 109 M-1.s-1). GC/MS analyses carried out on extracts at different irradiation time (UV, H2O2/UV) lead to the identification of numerous by-products from trifluorobenzene and trifluorotoluene. They consist mostly in hydroxylated and dehalogenated compounds. Dimers have also been observed during photolysis. Moreover, experiments carried out under oxygen limiting conditions revealed the formation of other compounds. For each case studied, a detailed mechanism involving radical intermediates and the different reaction sequences is proposed.