593001
4-tert-Butylphenylacetylene
96%
Synonym(s):
(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
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About This Item
Linear Formula:
(CH3)3C6H4C≡CH
CAS Number:
Molecular Weight:
158.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
96%
Form:
liquid
Quality Segment
assay
96%
form
liquid
bp
70 °C/2 mmHg (lit.)
density
0.877 g/mL at 25 °C (lit.)
SMILES string
CC(C)(C)c1ccc(cc1)C#C
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
General description
4-tert-Butylphenylacetylene can be synthesized from 4-tert-butylstyrene.
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
signalword
Warning
hcodes
pcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
180.0 °F - closed cup
flash_point_c
82.2 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
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