4-tert-Butylphenylacetylene

ALDRICH/593001 - 96%

Synonym: (4-tert-Butylphenyl)ethyne; 1-(1,1-Dimethylethyl)-4-ethynylbenzene; 1-Ethynyl-4-(t-Butyl)benzene; 1-Ethynyl-4-tert-butylbenzene; 1-tert-Butyl-4-ethynylbenzene; 4-tert-Butyl-1-ethynylbenzene; p-tert-Butylphenylacetylene

CAS Number: 772-38-3
Empirical Formula (Hill Notation): C₁₂H₁₄
Molecular Weight: 158.24
MDL Number: MFCD00190197
Linear Formula: (CH₃)₃C₆H₄C≡CH
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-593001-5G	5 g	$87.30 1/EA	Add To Favorites
45-593001-25G	25 g	$306.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	96%
bp	70 °C/2 mmHg (lit.)
density	0.877 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3
InChI key	ZSYQVVKVKBVHIL-UHFFFAOYSA-N
Quality Level	100
SMILES string	CC(C)(C)c1ccc(cc1)C#C

Application:	4-tert-Butylphenylacetylene can be used in the synthesis of the following: • 1,6-bis(4-tert-butylphenyl)hexa-1,5-diyne-3,4-dione • 4,4’,5,5’-tetra(4-tert-butylphenylethynyl)dibenzo-24-crown-8-ether via Sonogashira coupling reaction with 4,4’,5,5’-tetraiododibenzo-24-crown-8-ether • 1-(4-tert-butylphenyl)-2-(4-tert-butyldimethylsiloxyphenyl)acetylene via palladium catalyzed coupling with 4-(tert-butyldimethylsiloxy)iodobenzene
General description:	4-tert-Butylphenylacetylene can be synthesized from 4-tert-butylstyrene.
Packaging:	5, 25 g in glass bottle

Symbol	GHS09
Signal word	Warning
Hazard statements	H410
Precautionary statements	P273
Hazard Codes	N
Risk Statements	50/53
Safety Statements	36/37-60-61
RIDADR	UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous
WGK Germany	WGK 3
Flash Point(F)	180.0 °F - closed cup
Flash Point(C)	82.2 °C - closed cup

Purity	96%
bp	70 °C/2 mmHg (lit.)
Density	0.877 g/mL at 25 °C (lit.)
UNSPSC	12352100

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