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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
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
C=CC=C
InChI
1S/C4H6/c1-3-4-2/h3-4H,1-2H2
1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChI key
KAKZBPTYRLMSJV-UHFFFAOYSA-N
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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