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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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
Ai Pengfei, et al.
Journal of Organometallic Chemistry, 705(13), 51-58 (2012)
Single-atom Pd1/graphene catalyst achieved by atomic layer deposition: remarkable performance in selective hydrogenation of 1, 3-butadiene
Yan H, et al.
Journal of the American Chemical Society, 137(33), 10484-10487 (2015)
Toward the Rhodium-Catalyzed Bis-Hydroformylation of 1, 3-Butadiene to Adipic Aldehyde
Smith SE, et al.
Organometallics, 30(13), 3643-3651 (2011)
Dewakar Sangaraju et al.
Analytical chemistry, 84(3), 1732-1739 (2012-01-10)
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
Gunnar Boysen et al.
Toxicological sciences : an official journal of the Society of Toxicology, 125(1), 30-40 (2011-10-18)
1,3-Butadiene (BD) is an important industrial chemical that is classified as a human carcinogen. BD carcinogenicity has been attributed to its metabolism to several reactive epoxide metabolites and formation of the highly mutagenic 1,2:3,4-diepoxybutane (DEB) has been hypothesized to drive
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