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

Description

2'-Trifluoromethylphenyl acetylene, also known as 2-(Trifluoromethyl)phenylacetylene, is an organic compound characterized by the presence of a trifluoromethyl group attached to a phenyl ring and an acetylene functional group. 2'-Trifluoromethylphenyl acetylene is known for its unique chemical properties and reactivity, making it a versatile building block in various chemical syntheses and applications.

Uses

Used in Research Chemicals:
2'-Trifluoromethylphenyl acetylene is used as a research chemical, playing a crucial role in the development and synthesis of new compounds for various scientific investigations. Its unique structure and reactivity make it a valuable tool for exploring new chemical reactions and understanding the properties of related molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2'-Trifluoromethylphenyl acetylene is utilized as a pharmaceutical intermediate. It serves as a key building block in the synthesis of various pharmaceutical compounds, contributing to the development of new drugs with potential therapeutic applications. Its presence in the molecular structure can influence the pharmacokinetics, pharmacodynamics, and overall efficacy of the final drug product.

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

Upstream product

• 3796-19-8 2-trifluoromethylphenylmagnesium chloride 
• 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 
• 88444-77-3 1-(2,2-dichloro-1-fluoroethenyl)-2-(trifluoromethyl)benzene 
• 40230-94-2 trimethyl((2-(trifluoromethyl)phenyl)ethynyl)silane 

Downstream Products

• 851279-10-2 1-((4-methoxyphenyl)ethynyl)-2-(trifluoromethyl)benzene 
• 905946-11-4 (E)-3-hydroxy-5-phenyl-1-(2-trifluoromethylphenyl)-4-penten-1-yne 
• 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 
• 1069137-30-9 3-{2-[2-(trifluoromethyl)phenyl]ethynyl}pyridine 
• 1118638-80-4 C₁₇H₂₀F₃N 
• 1193784-41-6 di-(3-deoxy-3-{4-[2-trifluoromethyl-phenyl]-1H-1,2,3-triazol-1-yl}-β-D-galactopyranosyl)sulfane 
• 1191422-95-3 4-(2-(trifluoromethyl)phenylethynyl)-1-(2-(trimethylsilyl)ethoxymethyl)-1H-pyrrol-2-carbaldehyde 
• 1236282-96-4 N-(4-chlorobenzyl)-2-(4-chlorophenyl)-2-{(2-methoxyethyl)-[6-methyl-2-phenyl-5-(2-trifluoromethylphenylethynyl)-pyrimidin-4-yl]-amino}-acetamide 
• 1236283-00-3 2-{(4-chlorobenzyl)-[2-isopropyl-6-methyl-5-(2-trifluoromethylphenylethynyl)-pyrimidin-4-yl]-amino}-N-cyclohexyl-2-(4-fluorophenyl)-acetamide 
• 1236283-04-7 2-{butyl-[2-isopropyl-6-methyl-5-(2-trifluoromethylphenylethynyl)-pyrimidin-4-yl]-amino}-N-(4-methoxybenzyl)-acetamide 
• 1236283-08-1 N-(4-chlorobenzyl)-2-{(4-chlorobenzyl)-[2-isopropyl-6-methyl-5-(2-trifluoromethylphenylethynyl)-pyrimidin-4-yl]-amino}-acetamide 
• 262268-69-9 1-(2-bromoethynyl)-2-(trifluoromethyl)benzene 

Relevant articles and documents

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

Despite the long history and interesting properties of propellanes, these compounds still have tremendous potential to be exploited in synthetic organic chemistry. Herein we disclose an experimentally simple procedure to achieve cyclobutane-containing allenes and alkynes through a copper-catalyzed ring opening of [1.1.1]propellane and subsequent reaction with ethynes.

Hammett analysis of selective thyroid hormone receptor modulators reveals structural and electronic requirements for hormone antagonists

Selective thyroid hormone modulators that function as isoform-selective agonists or antagonists of the thyroid hormone receptors (TRs) might be therapeutically useful in diseases associated with aberrant hormone signaling. The most potent thyroid hormone

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.