77840
Phenylacetylene
purum, ≥97.0% (GC)
Synonym(s):
Ethynylbenzene
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About This Item
Linear Formula:
C6H5CCH
CAS Number:
Molecular Weight:
102.13
PubChem Substance ID:
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
605461
MDL number:
vapor pressure
17.6 mmHg ( 37.7 °C)
grade
purum
assay
≥97.0% (GC)
refractive index
n20/D 1.549
bp
142-144 °C (lit.)
density
0.93 g/mL at 25 °C (lit.)
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
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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
Regulatory Information
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Zhuofeng Ke et al.
Journal of the American Chemical Society, 134(37), 15418-15429 (2012-09-13)
Artificial metalloenzyme, composed of metal complex(es) and a host protein, is a promising way to mimic enzyme catalytic functions or develop novel enzyme-like catalysis. However, it is highly challenging to unveil the active site and exact reaction mechanism inside artificial
Kyoung Chul Ko et al.
The journal of physical chemistry. A, 116(25), 6837-6844 (2012-06-06)
The intramolecular magnetic coupling constant (J) values of diradical systems linked with two monoradicals through a coupler (para-substituted phenyl acetylene (Model I), meta-substituted phenyl acetylene (Model II), ethylene (Model III)) were investigated by unrestricted density functional theory calculations. We divided
Zhouqing Xu et al.
Chemical communications (Cambridge, England), 48(46), 5736-5738 (2012-05-09)
[8+12]-metallamacrocycle-based 3D frameworks {[Cu(4)(pbt)(2)(SO(4))(2)(DMF)(2)(CH(3)OH)]·7H(2)O·DMF}(n) (1) and [12]-macrocycle 3D {[Cu(2)(pbt)(SO(4))(DMSO)(CH(3)OH)(2)]·5H(2)O·CH(3)OH}(n) (2) have been obtained. Both complexes display antiferromagnetic couplings and high catalytic activity in the oxidative coupling reaction of 1-ethynylbenzene and oxazolidin-2-one.
Tomasz Ratajczyk et al.
Solid state nuclear magnetic resonance, 43-44, 14-21 (2012-03-01)
Para hydrogen induced polarization (PHIP) is a powerful hyperpolarization technique, which increases the NMR sensitivity by several orders of magnitude. However the hyperpolarized signal is created as an anti-phase signal, which necessitates high magnetic field homogeneity and spectral resolution in
Surajit Maity et al.
Chemphyschem : a European journal of chemical physics and physical chemistry, 12(1), 26-46 (2011-01-13)
Molecules with multiple hydrogen bonding sites offer the opportunity to investigate competitive hydrogen bonding. Such an investigation can become quite interesting, particularly when the molecule of interest has neither lone-pair electrons nor strongly acidic/basic groups. Phenylacetylene is one such molecule
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 76746-1G | 04061826651957 |
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