117706
Phenylacetylene
98%
Synonym(s):
Ethynylbenzene
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About This Item
Linear Formula:
C6H5CCH
CAS Number:
Molecular Weight:
102.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
605461
Assay:
98%
vapor pressure
17.6 mmHg ( 37.7 °C)
Quality Level
assay
98%
impurities
<1% 1,4-dioxane
refractive index
n20/D 1.549 (lit.)
bp
142-144 °C (lit.)
solubility
H2O: insoluble, alcohol: miscible, diethyl ether: miscible
density
0.93 g/mL at 25 °C (lit.)
functional group
phenyl
storage temp.
2-8°C
SMILES string
C#Cc1ccccc1
InChI
1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
InChI key
UEXCJVNBTNXOEH-UHFFFAOYSA-N
General description
Phenylacetylene is an aromatic organic compound frequently employed in Sonogashira coupling reactions. Phenylacetylene undergoes polymerization catalyzed by Rh and Pt complexes to form polyphenylacetylene.
Application
Terminal acetylene used in the conversion of nitrones to alkynyl hydroxyl amines in the presence of trimethylaluminum..
Phenylacetylene was used in a study to investigate the mechanism of product formation during the palladium-catalysed phenylacetylene oxidative carbonylation reaction.
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signalword
Danger
hcodes
Hazard Classifications
Aquatic Chronic 3 - Carc. 1B - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
80.6 °F - closed cup
flash_point_c
27 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Rhodium and platinum complexes as catalysts for the polymerization of phenylacetylene.
Furlani A, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 24(5), 991-1005 (1986)
Tetrahedron Letters, 48, 1457-1457 (2007)
Katarina Novakovic et al.
Physical chemistry chemical physics : PCCP, 10(5), 749-753 (2008-02-07)
This paper reports on the influence of oscillations on product selectivity as well as the dynamics of product formation during the palladium-catalysed phenylacetylene oxidative carbonylation reaction in a catalytic system (PdI2, KI, Air, NaOAc in methanol). The occurrence of the
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 117706-25ML | 04061837580406 |
| 117706-100ML | 04061837580390 |