743828
1,3-Butadiene
≥99.6%
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About This Item
Linear Formula:
CH2=CHCH=CH2
CAS Number:
Molecular Weight:
54.09
UNSPSC Code:
12142100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-450-8
Beilstein/REAXYS Number:
605258
MDL number:
Assay:
≥99.6%
Form:
gas
vapor density
1.9 (15 °C, vs air)
vapor pressure
1863 mmHg ( 21 °C)
assay
≥99.6%
form
gas
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
Application
1,3-Butadiene can be used as a starting material:
- In the synthesis of 1-butene by selective hydrogenation reaction using various supported catalysts.
- Along with acrylic acid in the multistep synthesis of oseltamivir.
- For 1,4-cis-polymerization by Gd complex/iBu3Al catalyst system.
- In combination with alcohols for the synthesis of alkyl octadienyl ethers by telomerization reaction using palladium−carbene catalysts.
Biochem/physiol Actions
Environmental carcinogen. Induces cardiac hemangiosarcomas in mice.
Other Notes
For 743828-250G-EU packaging: 500 mL of aluminium cylinder equipped with brass valve.
For 743828-250G-EU: outlet fitting: DIN 477-1 no. 1, Z742160 or Z742161 are the recommended regulators.
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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
监管及禁止进口产品
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An Industrially Viable Catalyst System for Palladium-Catalyzed Telomerizations of 1, 3-Butadiene with Alcohols
Jackstell R, et al.
Chemistry?A European Journal , 10(16), 3891-3900 (2004)
Hydrogenation of 1, 3-butadiene and of crotonaldehyde over highly dispersed Au catalysts
Okumura M, et al.
Catalysis Today, 74(3-4), 265-269 (2002)
Selective Hydrogenation of 1, 3-Butadiene to 1-Butene by Pd (0) Nanoparticles Embedded in Imidazolium Ionic Liquids
Umpierre AP, et al.
Advanced Synthesis & Catalysis, 347(10), 1404-1412 (2005)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 743828-250G | 04061833021989 |
| 743828-250G-EU | 04061833474556 |