ChemicalBook--->CAS DataBase List--->590-19-2

590-19-2

590-19-2 Structure

590-19-2 Structure
IdentificationMore
[Name]

1,2-BUTADIENE
[CAS]

590-19-2
[Synonyms]

1,2-BUTADIENE
METHYLALLENE
Allene, methyl-
CH2=C=CHCH3
methyl-allen
buta-1,2-diene
1,2-BUTADIENE, PRESSURE TIN
1,2-Butadien
1,2-BUTADIENE 90+% PRESSURE TIN
[EINECS(EC#)]

209-674-2
[Molecular Formula]

C4H6
[MDL Number]

MFCD00039911
[Molecular Weight]

54.09
[MOL File]

590-19-2.mol
Chemical PropertiesBack Directory
[Melting point ]

-136.2°C
[Boiling point ]

10.8 °C(lit.)
[density ]

0.6460
[refractive index ]

1.4205
[storage temp. ]

Freezer
[form ]

gas
[Water Solubility ]

735mg/L at 20℃
[Thermal Conductivity]

0.134 W/(m·K) at 0 ℃
[Henry's Law Constant]

1.2×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
[InChI]

InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3
[InChIKey]

QNRMTGGDHLBXQZ-UHFFFAOYSA-N
[SMILES]

C=C=CC
[LogP]

1.99 at 20℃
[CAS DataBase Reference]

590-19-2(CAS DataBase Reference)
[EPA Substance Registry System]

1,2-Butadiene (590-19-2)
Safety DataBack Directory
[Hazard Codes ]

F+
[Risk Statements ]

R12:Extremely Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 2037 2.1
[WGK Germany ]

1
[F ]

4.5-31
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

2.1
[Storage Class]

2A - Gases
[Hazard Classifications]

Flam. Gas 1A
Press. Gas Liquefied gas
[Hazardous Substances Data]

590-19-2(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

1,2-Butadiene can be used as a reagent:
  • To synthesize useful β-borylallylsilanes building blocks by reacting with various achiral silylboranes via Pd-catalyzed asymmetric silaboration reaction.
  • In the enantioselective diboration reaction in the presence of palladium catalyst and Lewis base ligand.
  • 3-methyl-4-methyleneisocoumarin via formation of ortho-thallated benzoic acid in the presence of thallium trifluoroacetate and palladium catalyst.

[Definition]

ChEBI: Buta-1,2-diene is a butadiene and a member of allenes.
[Flammability and Explosibility]

Extremelyflammable
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-BUTADIENE(590-19-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

590-19-2(sigmaaldrich)
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