401-75-2

Basic information

• Product Name: (TRIFLUOROMETHYL)CYCLOHEXANE
• Synonyms: (TRIFLUOROMETHYL)CYCLOHEXANE
• CAS NO: 401-75-2
• Molecular Formula: C₇H₁₁F₃
• Molecular Weight: 152.16
• Mol File: 401-75-2.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 107°C(lit.)
• Flash Point: 10°C
• Appearance: /
• Density: 1.09g/cm³
• Vapor Pressure: 36.7mmHg at 25°C
• Refractive Index: 1.3730 and le 1.3770
• CAS DataBase Reference: (TRIFLUOROMETHYL)CYCLOHEXANE(CAS DataBase Reference)
• NIST Chemistry Reference: (TRIFLUOROMETHYL)CYCLOHEXANE(401-75-2)
• EPA Substance Registry System: (TRIFLUOROMETHYL)CYCLOHEXANE(401-75-2)

Safety Data

• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39
• RIDADR: 1993
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 401-75-2(Hazardous Substances Data)

Usage

Description

(TRIFLUOROMETHYL)CYCLOHEXANE is a colorless liquid with the chemical formula C7H11F3. It is a fluorinated derivative of cyclohexane, known for its low toxicity and non-flammability, making it a relatively safe chemical to handle. It has a boiling point of 92-96°C and is insoluble in water but soluble in organic solvents.

Uses

Used in Pharmaceutical Industry:
(TRIFLUOROMETHYL)CYCLOHEXANE is used as a solvent and intermediate in the synthesis of pharmaceuticals due to its unique chemical properties and low toxicity.
Used in Agrochemical Industry:
(TRIFLUOROMETHYL)CYCLOHEXANE is used as a solvent and intermediate in the production of agrochemicals, contributing to the development of effective and safe products for agricultural applications.
Used in Polymer and Coating Industry:
(TRIFLUOROMETHYL)CYCLOHEXANE is used as a solvent and intermediate in the synthesis of polymers and coatings, enhancing their properties and performance.
Used in Synthesis of Fluorinated Compounds:
(TRIFLUOROMETHYL)CYCLOHEXANE is used as a starting material in the synthesis of other fluorinated compounds, leveraging its unique chemical properties for various applications across different industries.

InChI:InChI=1/C7H11F3/c8-7(9,10)6-4-2-1-3-5-6/h6H,1-5H2

Upstream product

• 98-17-9 3-Trifluoromethylphenol 
• 2648079-79-0 S-(trifluoromethyl)thianthrenium triflate 
• 110-83-8 cyclohexene 
• 110-82-7 cyclohexane 
• 1680206-12-5 Grushin’s reagent 
• 402-45-9 4-hydroxybenzotrifluoride 
• 7565-57-3 cyclohexylzinc(II) bromide 
• 4441-56-9 cyclohexylboronic acid 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 950510-09-5 trimethyl((1-(trifluoromethyl)cyclohexyl)oxy)silane 
• 80768-55-4 1-(trifluoromethyl)-1-cyclohexanol 
• 108-94-1 cyclohexanone 

Downstream Products

• 130340-71-5 N-(p-methylbenzyl)cyclohexanecarboxamide 
• 315712-26-6 N-(4-methoxyphenyl)-cyclohexanecarboxamide 
• 358-43-0 triethylsilyl fluoride 
• 82166-21-0 methyl cyclohexane 
• 4410-75-7 (cyclohexylmethyl)benzene 
• 696-32-2 1,1-difluoromethylenecyclohexane 
• 454-63-7 3-(trifluoromethyl)cyclohexan-1-ol 
• 75091-92-8 4-(trifluoromethyl)cyclohexan-1-ol 
• 585-36-4 3-(trifluoromethyl)cyclohexanone 
• 75091-99-5 4-(trifluoromethyl)cyclohexan-1-one 
• 76-05-1 trifluoroacetic acid 
• 7664-39-3 hydrogen fluoride 
• 7732-18-5 water 
• 15719-64-9 methylammonium carbonate 

Relevant articles and documents

Trifluoromethyl Thianthrenium Triflate: A Readily Available Trifluoromethylating Reagent with Formal CF3+, CF3?, and CF3-Reactivity

Here we report the synthesis and application of trifluoromethyl thianthrenium triflate (TT-CF3+OTf-) as a novel trifluoromethylating reagent, which is conveniently accessible in a single step from thianthrene and triflic anhydride. We demonstrate the use of TT-CF3+OTf- in electrophilic, radical, and nucleophilic trifluoromethylation reactions.

Mild and Selective Rhodium-Catalyzed Transfer Hydrogenation of Functionalized Arenes

Diboron-mediated rhodium-catalyzed transfer hydrogenation of functionalized arenes is reported. In addition to good functional group tolerance, the reaction features operational simplicity and controllable chemoselectivity. The general applicability of this procedure is demonstrated by the selective hydrogenation of a range of arenes, including functionalized benzenes, biphenyls, and polyaromatics.

Can Heteroarenes/Arenes Be Hydrogenated Over Catalytic Pd/C Under Ambient Conditions?

Hydrogenation of over a dozen aromatic compounds, including both heteroarenes and arenes, over palladium on carbon (Pd/C, 1–100 molpercent) with H2-balloon pressure at room temperature is reported. Analyses using pyridine as a model substrate revealed that acetic acid was the best solvent, as using only 1 molpercent Pd/C provided piperidine quantitatively. Substrate scope analysis and density functional theory calculations indicated that reaction rates are highly dependent on frontier molecular orbital characteristics and the steric bulkiness of substituents. Moreover, the established method was used for the concise synthesis of the anti-Alzheimer drug donepezil (Aricept?).