18871
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
Beilstein:
605258
EC Number:
MDL number:
UNSPSC Code:
12142100
PubChem Substance ID:
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 %
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
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Biochem/physiol Actions
Environmental carcinogen. Induces cardiac hemangiosarcomas in mice.
Packaging
pressure tin with 100 mL (net ~62 g)
Other Notes
Sales restrictions may apply
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Flam. Gas 1A - Muta. 1B - Press. Gas Liquefied gas
Storage Class Code
2A - Gases
WGK
WGK 3
Flash Point(F)
-104.8 °F - closed cup
Flash Point(C)
-76 °C - closed cup
Regulatory Information
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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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