1598-89-6

Basic information

• Product Name: 3,3'-BIS(TRIFLUOROMETHYL)BENZHYDROL
• Synonyms: BIS(3-(TRIFLUOROMETHYL)PHENYL)METHANOL;3,3'-BIS(TRIFLUOROMETHYL)BENZHYDROL;3,3'-DI(TRIFLUOROMETHYL)BENZHYDROL;3,3'-Bis(trifluoromethyl)benzhydrol97%
• CAS NO: 1598-89-6
• Molecular Formula: C₁₅H₁₀F₆O
• Molecular Weight: 320.23
• Mol File: 1598-89-6.mol
• Article Data: 7

Chemical Properties

• Melting Point: 48.0-49.5 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 118°C/2mm
• Flash Point: 139.3°C
• Appearance: /
• Density: 1.367g/cm³
• Vapor Pressure: 0.000331mmHg at 25°C
• Refractive Index: 1.484
• Storage Temp.: 2-8°C
• PKA: 13.17±0.20(Predicted)
• CAS DataBase Reference: 3,3'-BIS(TRIFLUOROMETHYL)BENZHYDROL(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3'-BIS(TRIFLUOROMETHYL)BENZHYDROL(1598-89-6)
• EPA Substance Registry System: 3,3'-BIS(TRIFLUOROMETHYL)BENZHYDROL(1598-89-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 1598-89-6(Hazardous Substances Data)

Usage

General Description

3,3'-Bis(trifluoromethyl)benzhydrol is a chemical compound with the molecular formula C15H10F6O. It is a crystalline white solid that is used as a reagent in organic synthesis and as a building block in the production of other compounds. It has a high melting point and is insoluble in water, but soluble in organic solvents such as acetone and ethanol. The presence of trifluoromethyl groups in its structure gives it unique properties that make it useful in a variety of applications, including pharmaceuticals, agrochemicals, and materials science. As a reagent, it can be used to introduce trifluoromethyl groups into organic molecules, which can enhance their stability and biological activity.

InChI:InChI=1/C15H10F6O/c16-14(17,18)11-5-1-3-9(7-11)13(22)10-4-2-6-12(8-10)15(19,20)21/h1-8,13,22H

Upstream product

• 401-78-5 3-bromo-1-trifluoromethylbenzene 
• 454-89-7 3-Trifluoromethylbenzaldehyde 
• 109-94-4 formic acid ethyl ester 
• 402-26-6 3-(trifluoromethyl)phenylmagnesium bromide 
• 1868-00-4 3,3'-bis(trifluoromethyl)benzophenone 

Downstream Products

• 1116366-14-3 α-ethenyl-α-[(3-(trifluoromethyl)phenyl)]-3'-(trifluoromethyl)benzenemethanol 
• 534617-71-5 chlorobis(3-(trifluoromethyl)phenyl)methane 
• 1868-00-4 3,3'-bis(trifluoromethyl)benzophenone 
• 86845-35-4 3,3'-bis(trifluoromethyl)diphenylmethane 
• 2560-96-5 Di-<3.3'-bis-trifluormethyl-benzhydryl>-aether 
• 51339-23-2 bis<3-(trifluoromethyl)phenyl>methyl bromide 

Relevant articles and documents

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A formally zwitterionic ruthenium catalyst precursor for the transfer hydrogenation of ketones that does not feature an ancillary ligand N-H dunctionality

Fast and furious: Even without the assistance of an N-H donor ligand, the Ra complex shown in the scheme is a remarkably active precatalyst for the transfer hydrogenation of ketones in basic iPrOH (R,R′ = alkyl oraryl), providing near-quantitative yields within minutes and exhibiting consistently high turnover frequencies (104 to 105 h-1) for a diverse range of substrates. (Chemical Equation Presented).