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695580

Sigma-Aldrich

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:
106-99-0
Molecular Weight:
54.09
MDL number:
MFCD00008659
UNSPSC Code:
12352100
PubChem Substance ID:
329761753
NACRES:
NA.22

form

liquid

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.

signalword

Danger

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

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

-105.0 °F

flash_point_c

-76.11 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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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