704-41-6

Basic information

• Product Name: 2'-TRIFLUOROMETHYLPHENYL ACETYLENE
• Synonyms: 2-ETHYNYL-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE;2-ETHYNYL-ALPHA,ALPHA,ALPHA- &;2-Ethynyl-α,α,α-trifluorotoluene,1-Ethynyl-2-trifluoromethylbenzene;Benzene, 1-ethynyl-2-(trifluoroMethyl)-;1-Ethynyl-2-(trifluoromethyl)benzene, 2-Ethynylbenzotrifluoride, 2-Ethynyl-alpha,alpha,alpha-trifluorotoluene;2-Ethynyl-alpha,alpha,alpha-trifluorotoluene 97%;2-Ethynyl-alpha;alpha-trifluorotoluene
• CAS NO: 704-41-6
• Molecular Formula: C₉H₅F₃
• Molecular Weight: 170.13
• Mol File: 704-41-6.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 45 °C8 mm Hg(lit.)
• Flash Point: 78 °F
• Appearance: /
• Density: 1.222 g/mL at 25 °C(lit.)
• Vapor Pressure: 8.68mmHg at 25°C
• Refractive Index: n20/D 1.4760(lit.)
• Storage Temp.: 2-8°C
• Water Solubility: Sparingly soluble in water.
• CAS DataBase Reference: 2'-TRIFLUOROMETHYLPHENYL ACETYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2'-TRIFLUOROMETHYLPHENYL ACETYLENE(704-41-6)
• EPA Substance Registry System: 2'-TRIFLUOROMETHYLPHENYL ACETYLENE(704-41-6)

Safety Data

• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 26-36/37/39
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• HazardClass: 3
• Hazardous Substances Data: 704-41-6(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 704-41-6 differently. You can refer to the following data:
1. 2'-Trifluoromethylphenyl acetylene is a useful research chemical.
2. 2-(Trifluoromethyl)phenylacetylene is used as pharmaceutical intermediate.

InChI:InChI=1/C9H5F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-5H

Upstream product

• 88444-77-3 1-(2,2-dichloro-1-fluoroethenyl)-2-(trifluoromethyl)benzene 
• 98-08-8 α,α,α-trifluorotoluene 
• 395-45-9 o-(trifluoromethyl)styrene 
• 79756-81-3 (+/-)-α-(o-(trifluoromethyl)phenyl)ethyl alcohol 
• 392-83-6 o-trifluoromethylphenyl bromide 
• 444-29-1 2-iodo(trifluoromethyl)benzene 
• 219999-02-7 1-(2-Trifluormethyl-phenyl)-2-brom-aethylen 
• 79756-82-4 1-(1,2-Dibromo-ethyl)-2-trifluoromethyl-benzene 
• 40230-94-2 trimethyl((2-(trifluoromethyl)phenyl)ethynyl)silane 
• 3796-19-8 2-trifluoromethylphenylmagnesium chloride 

Downstream Products

• 147344-86-3 1-(phenylethynyl)-2-(trifluoromethyl)benzene 
• 851279-10-2 1-((4-methoxyphenyl)ethynyl)-2-(trifluoromethyl)benzene 
• 917246-62-9 1-(1-bromonaphth-2-yloxy)-4-(2-trifluoromethylphenyl)but-3-yn-2-ol 
• 2806-31-7 3-(2-trifluoromethylphenyl)prop-2-ynoic acid 
• 841205-65-0 (2-trifluoromethylphenyl)propynoic acid prop-2-ynyl ester 
• 905581-23-9 [(3aR,4R,6R,6aR)-2,2-dimethyl-6-(6-{[2-(trifluoromethyl)phenyl]ethynyl}-9H-purin-9-yl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl sulfamate 
• 835889-89-9 [Ir(P(C₆H₅)3)2(C(C₆H₅)CHC(CH₃)O)(CF₃C₆H₄CHCHCCHC₆H₄CF₃)]⁽¹⁺⁾*SbF₆^(1-)=[Ir(P(C₆H₅)3)2(C(C₆H₅)CHC(CH₃)O)(C₁₈H₁₁F₆)]SbF₆ 
• 1118638-80-4 C₁₇H₂₀F₃N 
• 733751-58-1 1-[5-nitro-6-(2-trifluoromethyl-phenylethynyl)-pyrimidin-4-yl]-piperidine-4-carboxylic acid ethyl ester 
• 1254971-23-7 C₁₅H₁₃F₃N₄O₃ 
• 1191256-32-2 α-acetoxy-o-(trifluoromethyl)acetophenone 
• 1292358-69-0 1-(4-methylbenzenesulfonyl)-4-(2-trifluoromethylphenyl)-1,2,3-triazole 
• 1314006-80-8 C₂₅H₁₈F₃N₃O₃ 
• 1314006-69-3 C₂₅H₁₈F₃N₃O₃ 

Relevant articles and documents

Copper-Catalyzed Ring Opening of [1.1.1]Propellane with Alkynes: Synthesis of Exocyclic Allenic Cyclobutanes

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Preparation of Fluorine-Containing Phenylacetylenes by the Method of Introduction of the Ethynyl Group Using 1,1-Dichloro-2,2-difluroethene

Phenylacetylenes (ArCCH) having fluoro- or trifluoromethyl substituents (o-, m-, p-F; o-, m-, p-CF3; 2,4-, 2,5-, 2,6-, 3,5-(CF3)2) have been prepared from bromobenzenes (ArBr) and benzenes (ArH) using 1,1,-dichloro-2,2-difluoroethene (1) by a two-step route: ArLi or ArMgBr->ArCF=CCl2->ArCCLi.Upon careful treatment at -70 deg C with 1, o-fluorophenyllithium gave o-FC6H4CF=CCl2 in good yield, together with benzyne-derived products, such as o-(o-FC6H4)C6H4CF=CCl2.Lithiation of m-bis(trifluoromethyl)benzene at 0 deg C for 9 h (24 h) followed by treatment with bromine gave 1-bromo-2,4-, 2,6-, and 3,5-bis(trifluoromethyl)benzene in 35 (38), 31 (36), and 8percent (6percent) yield, respectively.