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安全信息

125415

Sigma-Aldrich

1,4-环己二烯

97%

别名:

1,4-二氢苯

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About This Item

经验公式（希尔记法）:
C6H8
CAS号:
628-41-1
分子量:
80.13
Beilstein:
1900733
MDL编号:
MFCD00001535
UNSPSC代码:
12352100
PubChem化学物质编号:
24847665
NACRES:
NA.22

质量水平

100

方案

97%

表单

liquid

包含

~0.1% hydroquinone as stabilizer

杂质

3% benzene

折射率

n20/D 1.472 (lit.)

沸点

88-89 °C (lit.)

密度

0.847 g/mL at 25 °C (lit.)

储存温度

2-8°C

SMILES字符串

C1C=CCC=C1

InChI

1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2

InChI key

UVJHQYIOXKWHFD-UHFFFAOYSA-N

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相关类别

一般描述

1,4-环己二烯是催化加氢反应的有效氢供体。它能迅速地用氢取代N-苄氧基氨基甲酸酯、苄酯、苄醚和苄胺的苄基。在钌 (II)-三苯基膦催化剂存在下在高温下形成苯。

应用

以1,4-环己二烯 (1，4-CHD) 为研究对象，研究了1,4-CHD 在强激光脉冲照射下的重碎裂形成母离子的过程。
用于电子转移介导的开环反应中形成的自由基中间体的还原

象形图

FlameHealth hazard
GHS02,GHS08

警示用语：

Danger

危险分类

Carc. 1A - Flam. Liq. 2 - Muta. 1B - STOT RE 2

靶器官

Blood

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

19.4 °F - closed cup

闪点(°C)

-7 °C - closed cup

法规信息

危险化学品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBS1790
SHBN8511
SHBK8437
SHBH2723V
29096LKV

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A key factor in parent and fragment ion formation on irradiation with an intense femtosecond laser pulse.
Harada H, et al.
Chemical Physics Letters, 342(5), 563-570 (2001)
Organometallics, 25, 5456-5456 (2006)
Yide Gao et al.
The journal of physical chemistry. A, 113(25), 6955-6963 (2009-06-06)
A quantitative understanding of the thermochemistry of cyclohexadienyl radical and 1,4-cyclohexadiene is beneficial for diverse areas of chemistry. Given the interest in these two species, it is surprising that more detailed thermodynamic data concerning the homolytic C-H bond enthalpies of
Kazutada Ikeuchi et al.
Organic letters, 14(23), 6016-6019 (2012-11-15)
Asymmetric bromolactonization of prochiral cyclohexadiene derivatives with N-bromosuccimide proceeded in the presence of (DHQD)(2)PHAL as a chiral catalyst to afford the corresponding bromolactones with up to 93% ee. This reaction was also applicable to the kinetic resolution of a racemic
Kyung-Bin Cho et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 18(33), 10444-10453 (2012-06-21)
The experimentally measured bimolecular reaction rate constant, k(2), should in principle correlate with the theoretically calculated rate-limiting free energy barrier, ΔG(≠), through the Eyring equation, but it fails quite often to do so due to the inability of current computational
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