99627-05-1

Basic information

• Product Name: 3,4,5-Trifluorophenol
• Synonyms: 3,4,5-Trifluorophenol, 97+%;Phenol, 3,4,5-trifluoro- (9CI);3,4,5-Trifluorophenol 99%;3,4,5-Trifluorophenol99%;3,4,5-Trifluorphenol;3,4,5-TRIFLUOROPHENOL 99.5%;3,4,5-TRIFLUOROPHENOL 99.5% UV 360 USED IN LCD PRODUCTION;3,4,5-TRIFLUOROPHENOL 99.5% UV 327 USED IN LCD PRODUCTION
• CAS NO: 99627-05-1
• Molecular Formula: C6H3F3O
• Molecular Weight: 148.08
• EINECS: 436-160-7
• Product Categories: HALIDE;blocks;FluoroCompounds;Aromatic Phenols;Phenol&Thiophenol&Mercaptan;Fluorophenols;Organic Building Blocks;Oxygen Compounds;Phenols;phenol series
• Mol File: 99627-05-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: 52-55 °C
• Boiling Point: 177°C
• Flash Point: 177°C
• Appearance: Colorless to pale yellow/Crystals or Low Melting Solid
• Density: 1.629 g/cm3 (20℃)
• Vapor Pressure: 0.238mmHg at 25°C
• Refractive Index: 1.471
• Storage Temp.: Store below +30°C.
• Solubility: 104g/l OECD Test Guideline 105
• PKA: 8.00±0.23(Predicted)
• Water Solubility: 104g/L at 20℃
• BRN: 8830884
• CAS DataBase Reference: 3,4,5-Trifluorophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-Trifluorophenol(99627-05-1)
• EPA Substance Registry System: 3,4,5-Trifluorophenol(99627-05-1)

Safety Data

• Hazard Codes: C,N,Xi,T
• Statements: 22-34-51/53-36/37/38-25
• Safety Statements: 26-36/37/39-45-60-36-61
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 2
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 99627-05-1(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Uses

Different sources of media describe the Uses of 99627-05-1 differently. You can refer to the following data:
1. 3,4,5-Trifluorophenol may be used in the synthesis of 3,4,5-trifluorophenoxymethyl-substituted polystyrene.
2. Intermediates of Liquid Crystals

General Description

3,4,5-Trifluorophenol is a halo-substituted phenol. It participates in the synthesis of difluorooxymethylene-bridged liquid crystals.

Flammability and Explosibility

Notclassified

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

Upstream product

• 156006-28-9 3,4,5-trifluorophenylmagnesium bromide 
• 688-74-4 boric acid tributyl ester 
• 138526-69-9 3,4,5-trifluoro-1-bromobenzene 
• 5419-55-6 Triisopropyl borate 
• 150-46-9 triethyl borate 
• 121-43-7 Trimethyl borate 
• 163733-96-8 3,4,5-trifluoro aniline 
• 143418-49-9 3,4,5-trifluorophenylboronic acid 

Downstream Products

• 1131543-24-2 (5,10,15,20-tetramesitylporphyrinato)Fe(3,4,5-trifluorophenolato) 

Relevant articles and documents

Improved synthesis technology of 3,4,5-trifluorophenol

The invention discloses a synthesis technology of 3,4,5-trifluorophenol, and belongs to the technical field of organic synthesis. The method comprises the following steps: 3,4,5-trifluorobromobenzeneused as a raw material is lithiated by using n-butyllithium under an ultralow temperature condition, and then reacts with boric acid ester, an alkali is added for quenching to obtain 3,4,5-trifluorophenylborate, the 3,4,5-trifluorophenylborate is oxidized in the presence of hydrogen peroxide, and then undergoes acidolysis to obtain 3,4,5-trifluorophenol, and the obtained 3,4,5-trifluorophenol is simply distilled to obtain the product having a purity reaching 99.9% or above, having a defluorination matter content of below 50 ppm and meeting the requirements of electronic products. The technology adopting lithiation/boronation and the oxidation reaction in a water system has the advantages of mild reaction conditions, few defluorination byproducts, high product purity, and easiness in realization of industrial production.

A practical method for preparation of phenols from arylboronic acids catalyzed by iodopovidone in aqueous medium

A novel and efficient strategy for the ipso-hydroxylation of arylboronic acids to phenols has been developed using inexpensive, readily available, air-stable water-soluble povidone iodine as catalyst and aqueous hydrogen peroxide as oxidizing agent. The reactions were performed at room temperature under metal-, ligand- and base-free condition in a short reaction time. The corresponding substituted phenols were obtained in moderate to good yields by oxidative hydroxylation of arylboronic acids in aqueous medium.

A synthetic phenol method of multi-fluoro compounds (by machine translation)

A synthetic phenol method of multi-fluoro compounds, Chinese the solvent, the compound (I) under the action of the catalyst, the reaction temperature 100-180°C, the reaction pressure of 0.3-2.0 MPa, the reaction time 6-12h react under, and then the step (a) in the reaction materials of the formula (II) compound of a post-processing, the process yield can be up to 80% or more, is far higher than the yield of the process the obtained in the past, to achieve product purity 99.5% or more, good color appearance, with mild reaction conditions, high yield, low cost and environment-friendly and the like. (by machine translation)