P6514
Phenylacetylene
~98%
Synonym(s):
Ethynylbenzene
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About This Item
Linear Formula:
C6H5CCH
CAS Number:
Molecular Weight:
102.13
EC Number:
208-645-1
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
605461
MDL number:
vapor pressure
17.6 mmHg ( 37.7 °C)
assay
~98%
refractive index
n20/D 1.549 (lit.)
bp
142-144 °C (lit.)
density
0.93 g/mL at 25 °C (lit.)
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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Shannon K Yee et al.
ACS nano, 5(11), 9256-9263 (2011-10-21)
The transport properties of a junction consisting of small donor-acceptor molecules bound to Au electrodes are studied and understood in terms of its hybrid donor-acceptor-electrode interfaces. A newly synthesized donor-acceptor molecule consisting of a bithiophene donor and a naphthalenediimide acceptor
Akira Onoda et al.
Chemical communications (Cambridge, England), 48(78), 9756-9758 (2012-08-25)
Our group recently prepared a hybrid catalyst containing a rhodium complex, Rh(Cp)(cod), with a maleimide moiety at the peripheral position of the Cp ligand. This compound was then inserted into a β-barrel protein scaffold of a mutant of aponitrobindin (Q96C)
Surajit Maity et al.
Physical chemistry chemical physics : PCCP, 13(37), 16706-16712 (2011-08-23)
The structure of the phenylacetylene-dimer has been elucidated using IR-UV double resonance spectroscopy in combination with high level ab initio calculations at the CCSD(T)/CBS level. The IR spectra in the acetylenic and the aromatic C-H stretching regions indicate that the
Simon Rondeau-Gagné et al.
Journal of the American Chemical Society, 135(1), 110-113 (2012-12-20)
Soluble organic nanorods were prepared from phenylacetylene macrocycles using the topochemical polymerization of butadiyne moieties placed both inside and outside the macrocycles' skeletons. Macrocycles containing amide groups were self-assembled in a columnar fashion through the formation of an organogel in
Hubert Cybulski et al.
The Journal of chemical physics, 137(7), 074305-074305 (2012-08-28)
We evaluate the phenylacetylene-argon intermolecular potential energy surface by fitting a representative number of ab initio interaction energies to an analytic function. These energies are calculated at a grid of intermolecular geometries, using the CCSD(T) method and the aug-cc-pVDZ basis
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