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Merck
CN

18869

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
EC Number:
203-450-8
UNSPSC Code:
12142100
PubChem Substance ID:
Beilstein/REAXYS Number:
605258
MDL number:
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vapor density

1.9 (15 °C, vs air)

vapor pressure

1863 mmHg ( 21 °C)

grade

puriss.

assay

≥99.5% (GC)

autoignition temp.

788 °F

expl. lim.

12 %

impurities

≤0.05% isobutylene, ≤0.1% 1-butene, ≤0.1% trans-2-butene

bp

−4.5 °C (lit.)

mp

−109 °C (lit.)

density

0.62 g/mL at 20 °C (lit.)

SMILES string

C=CC=C

InChI

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

InChI key

KAKZBPTYRLMSJV-UHFFFAOYSA-N

Biochem/physiol Actions

环境致癌物。可诱导小鼠的心脏血管肉瘤。

Packaging

10mL 压力罐(净重 ~6.2g)

Other Notes

可能实行销售限制


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signalword

Danger

存储类别

2A - Gases

wgk

WGK 3

flash_point_f

-104.8 °F - closed cup

flash_point_c

-76 °C - closed cup

Hazard Classifications

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

法规信息

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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
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
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