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

General Description

(TRIFLUOROMETHYL)CYCLOHEXANE is a colorless liquid with the chemical formula C7H11F3. It is a fluorinated derivative of cyclohexane and is used as a solvent and intermediate in chemical synthesis. It has a boiling point of 92-96°C and is insoluble in water but soluble in organic solvents. (TRIFLUOROMETHYL)CYCLOHEXANE is known for its low toxicity and non-flammability, making it a relatively safe chemical to handle. It is commonly used in the production of pharmaceuticals, agrochemicals, and materials like polymers and coatings. Additionally, it can be used in the synthesis of other fluorinated compounds due to its unique chemical properties.

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 
• 98-08-8 α,α,α-trifluorotoluene 
• 4441-56-9 cyclohexylboronic acid 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 7565-57-3 cyclohexylzinc(II) bromide 
• 402-45-9 4-hydroxybenzotrifluoride 
• 110-82-7 cyclohexane 
• 1680206-12-5 Grushin’s reagent 
• 2648079-79-0 S-(trifluoromethyl)thianthrenium triflate 
• 110-83-8 cyclohexene 
• 950510-09-5 trimethyl((1-(trifluoromethyl)cyclohexyl)oxy)silane 
• 80768-55-4 1-(trifluoromethyl)-1-cyclohexanol 
• 108-94-1 cyclohexanone 

Downstream Products

• 7664-39-3 hydrogen fluoride 
• 7732-18-5 water 
• 15719-64-9 methylammonium carbonate 
• 76-05-1 trifluoroacetic acid 
• 4410-75-7 (cyclohexylmethyl)benzene 
• 130340-71-5 N-(p-methylbenzyl)cyclohexanecarboxamide 
• 315712-26-6 N-(4-methoxyphenyl)-cyclohexanecarboxamide 
• 358-43-0 triethylsilyl fluoride 
• 82166-21-0 methyl cyclohexane 
• 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 

Relevant articles and documents

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.

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.

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?).