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117706

Sigma-Aldrich

苯乙炔

98%

别名:

乙炔苯

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About This Item

线性分子式:
C6H5CCH
CAS号:
536-74-3
分子量:
102.13
Beilstein:
605461
MDL號碼:
MFCD00008570
分類程式碼代碼:
12352100
PubChem物質ID:
24847341
NACRES:
NA.22

蒸汽壓力

17.6 mmHg ( 37.7 °C)

化驗

98%

雜質

<1% 1,4-dioxane

折射率

n20/D 1.549 (lit.)

bp

142-144 °C (lit.)

溶解度

H2O: insoluble
alcohol: miscible
diethyl ether: miscible

密度

0.93 g/mL at 25 °C (lit.)

官能基

phenyl

儲存溫度

2-8°C

SMILES 字串

C#Cc1ccccc1

InChI

1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H

InChI 密鑰

UEXCJVNBTNXOEH-UHFFFAOYSA-N

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相关类别

一般說明

苯乙炔是一种芳香有机化合物，常用于Sonogashira偶联反应。苯乙炔在Rh和Pt复合物催化下形成聚苯乙炔。

應用

在存在三甲基铝的情况下，末端乙炔可用于将硝基转换到炔基羟基胺。
苯乙炔被用来研究钯催化苯乙炔氧化羰基化反应产物形成机制。

訊號詞

Danger

危險分類

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

儲存類別代碼

3 - Flammable liquids

水污染物質分類（WGK）

WGK 3

閃點（°F）

80.6 °F - closed cup

閃點（°C）

27 °C - closed cup

個人防護裝備

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCF2539
BCCB7908
BCBZ7343
BCBW5825
BCBT2289

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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
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)
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.
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