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Merck
CN

77840

苯乙炔

purum, ≥97.0% (GC)

别名:

乙炔苯

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线性分子式:
C6H5CCH
化学文摘社编号:
分子量:
102.13
PubChem Substance ID:
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
605461
MDL number:
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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

Hazard Classifications

Aquatic Chronic 3 - Carc. 1B - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

存储类别

3 - Flammable liquids

wgk

WGK 3

flash_point_f

80.6 °F - closed cup

flash_point_c

27 °C - closed cup

法规信息

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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
Hui Xu et al.
The Journal of organic chemistry, 76(8), 2448-2458 (2011-03-18)
An efficient synthesis of trisubstituted alkenes including 1,2-heterodisubstituted alkenes has been described. Reactions of thiols and amines with 1,1-dibromo-1-alkenes in the presence of TBAF·3H(2)O afford (Z)-2-bromovinyl sulfides and (Z)-2-bromovinyl amines regio- and stereoselectively. The reaction proceeds under catalyst-free conditions with
Fumitaka Ishiwari et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 17(43), 12067-12075 (2011-09-17)
Directed helicity control of a polyacetylene dynamic helix was achieved by hybridization with a rotaxane skeleton placed on the side chain. Rotaxane-tethering phenylacetylene monomers were synthesized in good yields by the ester end-capping of pseudorotaxanes that consisted of optically active
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.
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

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货号GTIN
76746-1G04061826651957

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