705-31-7

Basic information

• Product Name: 4'-TRIFLUOROMETHYLPHENYL ACETYLENE
• Synonyms: 4-ETHYNYL-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;4-(TRIFLUOROMETHYL)PHENYLACETYLENE;4'-TRIFLUOROMETHYLPHENYL ACETYLENE;1-ETHYNYL-4-(TRIFLUOROMETHYL)BENZENE;4-ethynyl-trifluorotoluene-;4-ethynyl trifluorotoluene(4-(trifluoromethyl)phenylacetylene);4-(Trifluoromethyl)phenylacetylene 99%;4-(Trifluoromethyl)phenylacetylene99%
• CAS NO: 705-31-7
• Molecular Formula: C₉H₅F₃
• Molecular Weight: 170.13
• Product Categories: Alkynyl;Halogenated Hydrocarbons;Organic Building Blocks
• Mol File: 705-31-7.mol
• Article Data: 40

Chemical Properties

• Boiling Point: 78-80 °C2 mm Hg(lit.)
• Flash Point: 69 °F
• Appearance: Clear colorless to yellow/Liquid
• Density: 1.043 g/mL at 25 °C(lit.)
• Vapor Pressure: 3.945mmHg at 25°C
• Refractive Index: n20/D 1.4650(lit.)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• CAS DataBase Reference: 4'-TRIFLUOROMETHYLPHENYL ACETYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-TRIFLUOROMETHYLPHENYL ACETYLENE(705-31-7)
• EPA Substance Registry System: 4'-TRIFLUOROMETHYLPHENYL ACETYLENE(705-31-7)

Safety Data

• Hazard Codes: F,Xi,F+
• Statements: 11
• Safety Statements: 16-26-36-45
• RIDADR: UN 1993 3/PG 2
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: Ⅱ
• Hazardous Substances Data: 705-31-7(Hazardous Substances Data)

Usage

Chemical Properties

Pale yellow liquid

Uses

4-Ethynyl-α,α,α-trifluorotoluene may be used to synthesize the following: 6,13-bis(4-trifluoromethylphenylethynyl)pentacene1,2-dialkynylimidazolestrans-[Co(cyclam)(p-CCC6H4CF3)2]OTf complex (where cyclam - 1,4,8,11-tetraazacyclotetradecane; 4-ethynyl-α,α,α-trifluorotoluene - p-CCC6H4CF3; OTf- trifluoromethane sulfonate)3-spiroazetidinimine-2-oxindoles

General Description

4-Ethynyl-α,α,α-trifluorotoluene reacts with ethanol to afford the corresponding α,β-alkynyl ester. 4-Ethynyl-α,α,α-trifluorotoluene plays the role of a functionalized alkyne in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction on BrPP thin films.

InChI:InChI=1/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H

Upstream product

• 40230-95-3 1-(4-trifluoromethylphenyl)-2-trimethylsilylethyne 
• 89619-12-5 1-(1,2-dibromoethyl)-4-(trifluoromethyl)benzene 
• 118527-34-7 1-(2,2-Dichloro-1-fluoro-vinyl)-4-trifluoromethyl-benzene 
• 1059140-27-0 1-(2-bromovinyl)-4-(trifluoromethyl)benzene 
• 67-56-1 methanol 
• 164171-90-8 1-(4-trifluoromethylphenyl)cyclobutene 
• 455-13-0 4-Iodobenzotrifluoride 
• 1216963-74-4 lithium acetylide-ethylenediamine complex 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 29480-10-2 1-(4-(trifluoromethyl)phenyl)cyclobutan-1-ol 
• 402-50-6 1-trifluoromethyl-4-vinyl-benzene 
• 1737-26-4 1-(4-trifluorophenyl)ethanol 
• 98-08-8 α,α,α-trifluorotoluene 
• 402-51-7 4-(trifluoromethyl)phenylmagnesium bromide 

Downstream Products

• 121721-27-5 2-acetyl-2-(p-trifluoromethylphenyletynyl)-3,4-dihydronaphtalen-1(2H)-one 
• 121721-33-3 1-nitro-1-(p-trifluoromethylphenylethynyl)cyclohexane 
• 99256-89-0 [2-(3,4-Dimethoxy-phenyl)-ethyl]-{2-[5-methoxy-2-(4-trifluoromethyl-phenylethynyl)-phenyl]-1-methyl-ethyl}-methyl-amine 
• 151361-96-5 Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-[2,4-dioxo-5-(4-trifluoromethyl-phenylethynyl)-3,4-dihydro-2H-pyrimidin-1-yl]-tetrahydro-furan-3-yl ester 
• 121721-18-4 ethyl 2-oxo-1-(p-trifluoromethylphenyletynyl)cyclopentanecarboxylate 
• 79756-87-9 1-(prop-1-ynyl)-4-trifluoromethylbenzene 
• 2062-26-2 3-<4'-(trifluoromethyl)phenyl>-2-propenoic acid 
• 313343-92-9 (E)-1-chloro-4-(4'-trifluoromethylphenyl)-1-buten-3-yne 
• 709-63-7 1-(4-trifluoromethylphenyl)ethanone 
• 119757-51-6 1,2-bis(4-(trifluoromethyl)phenyl)ethyne 
• 7386-61-0 (E)-3-(4-(trifluoromethyl)phenyl)but- 2-enoic acid 

Relevant articles and documents

Iodonium Cation-Pool Electrolysis for the Three-Component Synthesis of 1,3-Oxazoles

The synthesis of 1,3-oxazoles from symmetrical and unsymmetrical alkynes was realized by an iodonium cation-pool electrolysis of I2 in acetonitrile with a well-defined water content. Mechanistic investigations suggest that the alkyne reacts with the acetonitrile-stabilized I+ ions, followed by a Ritter-type reaction of the solvent to a nitrilium ion, which is then attacked by water. The ring closure to the 1,3-oxazoles released molecular iodine, which was visible by the naked eye. Also, some unsymmetrical internal alkynes were tested and a regioselective formation of a single isomer was determined by two-dimensional NMR experiments.

Aggregation induced emission-emissive stannoles in the solid state

The optoelectronic and structural properties of six stannoles are reported. All revealed extremely weak emission in solution at 295 K, but intensive fluorescence in the solid state with quantum yields (ΦF) of up to 11.1% in the crystal, and of up to 24.4% (ΦF) in the thin film.

Intermolecular Desymmetrizing Gold-Catalyzed Yne–Yne Reaction of Push–Pull Diarylalkynes

Push–pull diaryl alkynes are dimerized in the presence of a cationic gold catalyst. The polarized structure of the applied starting materials enables the generation of a highly reactive vinyl cation intermediate in an intermolecular reaction. Trapping of the vinyl cation by a nucleophilic attack of the electron-poor aryl unit then leads to the selective formation of highly substituted naphthalenes in a single step and in complete atom economy.