18869
1,3-Butadiene
puriss., ≥99.5% (GC)
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About This Item
Linear Formula:
CH2=CHCH=CH2
CAS Number:
Molecular Weight:
54.09
EC Number:
203-450-8
UNSPSC Code:
12142100
PubChem Substance ID:
Beilstein/REAXYS Number:
605258
MDL number:
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
Environmental carcinogen. Induces cardiac hemangiosarcomas in mice.
Packaging
pressure tin with 10 mL (net ~6.2 g)
Other Notes
Sales restrictions may apply
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signalword
Danger
Storage Class
2A - Gases
wgk
WGK 3
flash_point_f
-104.8 °F - closed cup
flash_point_c
-76 °C - closed cup
hcodes
Hazard Classifications
Carc. 1A - Flam. Gas 1A - Muta. 1B - Press. Gas Liquefied gas
Regulatory Information
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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