349-58-6

Basic information

• Product Name: 3,5-Bis(trifluoromethyl)phenol
• Synonyms: MBT-OH;3,5-DI(TRIFLUOROMETHYL)PHENOL;3,5-BIS(TRIFLUOROMETHYL)PHENOL;TIMTEC-BB SBB006599;Phenol, 3,5-bis(trifluoromethyl)-;alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenol;3,5-Bis(trifluoromethyl)phenol 98%;3,5-Bis(trifluoromethyl)phenol98%
• CAS NO: 349-58-6
• Molecular Formula: C₈H₄F₆O
• Molecular Weight: 230.11
• EINECS: 206-488-3
• Product Categories: Fluorides;Aromatic Phenols;Organic Building Blocks;Oxygen Compounds;Phenols;Building Blocks;C6 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
• Mol File: 349-58-6.mol
• Article Data: 16

Chemical Properties

• Melting Point: 20-21 °C(lit.)
• Boiling Point: 97 °C50 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.511 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.823mmHg at 25°C
• Refractive Index: n20/D 1.415(lit.)
• Storage Temp.: 2-8°C
• PKA: 7.96±0.10(Predicted)
• BRN: 2123670
• CAS DataBase Reference: 3,5-Bis(trifluoromethyl)phenol(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Bis(trifluoromethyl)phenol(349-58-6)
• EPA Substance Registry System: 3,5-Bis(trifluoromethyl)phenol(349-58-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 349-58-6(Hazardous Substances Data)

Usage

Uses

3,5-Bis(trifluoromethyl)phenol (BTMP) has been used as hydrogen donor in synergistic extraction of aluminium (III) and gallium (III) with 2,4-pentanedione in heptane.

InChI:InChI=1/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H

Upstream product

• 328-74-5 3,5-Bis-(trifluoromethyl)aniline 
• 4210-04-2 3,5-bis(trifluoromethyl)phenyl methyl sulfone 
• 887268-12-4 2-(3,5-bis(trifluoromethyl)phenoxy)ethanol 
• 1246566-49-3 3,5-bis(trifluoromethyl)phenyl methanesulfonate 
• 73852-19-4 3,5-bis-trifluromethylphenylboronic acid 
• 328-73-4 3,5-bis(trifluoromethyl)iodobenzene 
• 112981-69-8 3,5-bis(trifluoromethyl)phenylmagnesium bromide 
• 30071-93-3 3,5-bis(trifluoromethyl)phenyl methyl ketone 
• 402-31-3 1,3-bis(trifluoromethyl)benzene 
• 130783-02-7 3,5-bis(trifluoromethyl)thiophenol 
• 685892-24-4 [3,5-bis(trifluoromethyl)phenyl] methyl sulfide 
• 667458-78-8 benzyl 3,5-bis(trifluoromethyl)phenyl sulfone 
• 618-83-7 5-Hydroxyisophthalic acid 
• 328-70-1 3,6-bis(trifluoromethyl)bromobenzene 

Downstream Products

• 19125-98-5 Bis-<3,5-bistrifluormethyl-phenyl>-oxalat 
• 38710-84-8 5-(3,5-Bis-trifluoromethyl-phenoxy)-2-nitro-benzonitrile 
• 79850-12-7 1,3-bis(trifluoromethyl)cyclohexane 
• 75091-94-0 3,5-bis(trifluoromethyl)cyclohexanol 
• 349-60-0 1-methoxy-3,5-bis(trifluoromethyl)benzene 
• 190966-89-3 2-(3,5-Bis-trifluoromethyl-phenoxy)-5-nitro-thiophene 
• 652128-68-2 4-(3,5-bis-trifluoromethyl-phenoxymethyl)-4,5-dihydro-imidazole-1-carboxylic acid tert-butyl ester 
• 741683-46-5 1-(3-Bromo-benzyloxy)-3,5-bis-trifluoromethyl-benzene 
• 899807-81-9 C₂₉H₃₅ClF₆O₅ 
• 1021459-88-0 Ethyl 7-(3,5-bis(trifluoromethyl)phenoxy)heptanoate 
• 75092-07-8 3,5-bis(trifluoromethyl)cyclohexanone 
• 75092-08-9 3,5-bis(trifluoromethyl)cyclohexanone oxime 
• 75091-94-0 (1S,3R,5S)-3,5-Bis-trifluoromethyl-cyclohexanol 

Relevant articles and documents

Radical-anion coupling through reagent design: hydroxylation of aryl halides

The design and development of an oxime-based hydroxylation reagent, which can chemoselectively convert aryl halides (X = F, Cl, Br, I) into phenols under operationally simple, transition-metal-free conditions is described. Key to the success of this approach was the identification of a reducing oxime anion which can interact and couple with open-shell aryl radicals. Experimental and computational studies support the proposed radical-nucleophilic substitution chain mechanism.

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 catalytic oxidation fragrant boron class compound preparing phenol method (by machine translation)

The invention discloses a method for catalytic oxidation of phenolic compounds fragrant boron class compound synthesis method, the flux in the solvent in the aqueous solution, under the action of alkali, adding hydrazine hydrate or acid hydrazides catalyst, catalytic oxidation fragrant boron class compound directly for the preparation of phenolic compound. The invention of the method of preparation of the phenol compound, the catalyst is a cheap hydrazine hydrate or hydrazine compound, the oxidizing agent is atmospheric pressure of air or oxygen, the reaction does not need good and activeness metal catalyst, is extensive and stable substrate, substrate-sensitive functional group compatibility good and wide range of application. In the optimized under the reaction conditions, the yield of the target product separation up to 99%. (by machine translation)