695580
1,3-Butadiene solution
20 wt. % in toluene
Synonym(s):
Bivinyl, Vinylethylene, alpha,gamma-Butadiene
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About This Item
Empirical Formula (Hill Notation):
C4H6
CAS Number:
Molecular Weight:
54.09
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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form
liquid
Quality Level
concentration
20 wt. % in toluene
refractive index
n20/D 1.493
density
0.806 g/mL at 25 °C
storage temp.
2-8°C
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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Application
1,3-Butadiene can be used:
- In the synthesis of 1,6-hexanedial (adipic aldehyde) by bis-hydroformylation using rhodium as a catalyst.
- As a monomer for the synthesis of cis-1,4-polybutadiene by polymerization using cobalt(II) and nickel(II) complex catalysts.
- As a precursor for the selective synthesis of butene by hydrogenation reaction.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Flam. Liq. 2 - Muta. 1B - Repr. 2 - Skin Irrit. 2 - STOT RE 2 - STOT SE 3
Target Organs
Central nervous system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
-105.0 °F
Flash Point(C)
-76.11 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Single-atom Pd1/graphene catalyst achieved by atomic layer deposition: remarkable performance in selective hydrogenation of 1, 3-butadiene
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Journal of the American Chemical Society, 137(33), 10484-10487 (2015)
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Smith SE, et al.
Organometallics, 30(13), 3643-3651 (2011)
Polymerization of 1, 3-butadiene catalyzed by cobalt (II) and nickel (II) complexes bearing imino-or amino-pyridyl alcohol ligands in combination with ethylaluminum sesquichloride
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Journal of Organometallic Chemistry, 705(13), 51-58 (2012)
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1,3-Butadiene (BD) is an important industrial chemical and a common environmental pollutant present in urban air. BD is classified as a human carcinogen based on epidemiological evidence for an increased incidence of leukemia in workers occupationally exposed to BD and
Christopher R Kirman et al.
Critical reviews in toxicology, 40 Suppl 1, 74-92 (2010-09-28)
1,3-Butadiene (BD) is a multisite carcinogen in laboratory rodents following lifetime exposure, with greater potency in the mouse than the rat, and is associated with an increase in leukemia mortality in highly exposed workers. Species differences in the formation of
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