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Merck
CN

18871

Sigma-Aldrich

1,3-丁二烯

puriss., ≥99.5% (GC)

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线性分子式:
CH2=CHCH=CH2
化学文摘社编号:
分子量:
54.09
Beilstein:
605258
EC 号:
MDL编号:
UNSPSC代码:
12142100
PubChem化学物质编号:
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蒸汽密度

1.9 (15 °C, vs air)

蒸汽压

1863 mmHg ( 21 °C)

等级

puriss.

方案

≥99.5% (GC)

自燃温度

788 °F

expl. lim.

12 %

沸点

−4.5 °C (lit.)

mp

−109 °C (lit.)

密度

0.62 g/mL at 20 °C (lit.)

SMILES字符串

C=CC=C

InChI

1S/C4H6/c1-3-4-2/h3-4H,1-2H2

InChI key

KAKZBPTYRLMSJV-UHFFFAOYSA-N

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生化/生理作用

环境致癌物。可诱导小鼠的心脏血管肉瘤。

包装

100mL 压力罐(净重 ~62g)

其他说明

可能实行销售限制

警示用语:

Danger

危险声明

危险分类

Flam. Gas 1A - Muta. 1B - Press. Gas Liquefied gas

储存分类代码

2A - Gases

WGK

WGK 3

闪点(°F)

-104.8 °F - closed cup

闪点(°C)

-76 °C - closed cup

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Katharina Sterz et al.
Chemical research in toxicology, 25(8), 1565-1567 (2012-07-24)
1,3-Butadiene (BD) is a Class 1 carcinogen present at workplaces, in polluted air, in automobile exhaust, and in tobacco smoke. 2-Hydroxybutene-1-yl mercapturic acid (2-MHBMA) is a urinary metabolite often measured as a biomarker for exposure to BD. Here, we show
Masato Ohashi et al.
Journal of the American Chemical Society, 133(45), 18018-18021 (2011-10-19)
Pyridines, which comprise one of the most important classes of the six-membered heterocyclic compounds, are widely distributed in nature, and the transition-metal-catalyzed [2 + 2 + 2] cycloaddition reaction of two alkynes and a nitrile is one of the most
Matthew S McCammant et al.
Journal of the American Chemical Society, 135(11), 4167-4170 (2013-03-12)
A palladium-catalyzed 1,4-addition across the commodity chemical 1,3-butadiene to afford skipped polyene products is reported. Through a palladium σ → π → σ allyl isomerization, two new carbon-carbon bonds are formed with high regioselectivity and trans stereoselectivity of the newly
R I Kaiser et al.
The journal of physical chemistry. A, 116(17), 4248-4258 (2012-04-14)
The crossed beam reactions of the phenyl radical (C(6)H(5), X(2)A(1)) with 1,3-butadiene (C(4)H(6), X(1)A(g)) and D6-1,3-butadiene (C(4)D(6), X(1)A(g)) as well as of the D5-phenyl radical (C(6)D(5), X(2)A(1)) with 2,3-D2-1,3-butadiene and 1,1,4,4-D4-1,3-butadiene were carried out under single collision conditions at collision
Mohammed Bahou et al.
The Journal of chemical physics, 137(8), 084310-084310 (2012-09-04)
The reactions of chlorine and hydrogen atoms with trans-1,3-butadiene in solid para-hydrogen (p-H(2)) were investigated with infrared (IR) absorption spectra. When a p-H(2) matrix containing Cl(2) and trans-1,3-butadiene was irradiated with ultraviolet light at 365 nm, intense lines at 650.3

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