4-Ethynyl-α,α,α-trifluorotoluene

ALDRICH/556432 - 97%

Synonym: 1-Ethynyl-4-(trifluoromethyl)benzen; 1-Ethynyl-4-(trifluoromethyl)benzene; 1-Trifluoromethyl-4-ethynylbenzene; 4-(Trifluoromethyl)phenylacetylene; 4-Ethynyl(trifluoromethyl)benzene; 4-Ethynyl-trifluorotoluene; 4-Trifluorophenylacetylene; [4-(Trifluoromethyl)phenyl]ethyne; p-(Trifluoromethyl)phenylacetylene

CAS Number: 705-31-7
Empirical Formula (Hill Notation): C₉H₅F₃
Molecular Weight: 170.13
MDL Number: MFCD01861903
Linear Formula: HC≡CC₆H₄CF₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-556432-5G	5 g	$132.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	78-80 °C/2 mmHg (lit.)
density	1.043 g/mL at 25 °C (lit.)
functional group	fluoro
InChI	1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChI key	XTKBMZQCDBHHKY-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.4650 (lit.)
SMILES string	FC(F)(F)c1ccc(cc1)C#C

Application:	4-Ethynyl-α,α,α-trifluorotoluene may be used to synthesize the following: • 6,13-bis(4-trifluoromethylphenylethynyl)pentacene • 1,2-dialkynylimidazoles • trans-[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
Application:	Used to synthesize self-assembled monolayers (SAMs).
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.
Packaging:	5 g in glass bottle

Symbol	GHS02
Signal word	Danger
Hazard statements	H225
Precautionary statements	P210
Hazard Codes	F
Risk Statements	11
Safety Statements	16-26-36-45
RIDADR	UN 1993BE 3 / PGII
WGK Germany	WGK 3
Flash Point(F)	69.1 °F - closed cup
Flash Point(C)	20.6 °C - closed cup

Purity	97%
bp	78-80 °C/2 mmHg (lit.)
Density	1.043 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.4650 (lit.)
UNSPSC	12352100

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