1,3-Butadiene

Base Information

• Chemical Name: 1,3-Butadiene
• CAS No.: 68441-48-5
• Deprecated CAS: 130983-70-9,183592-61-2,1213224-27-1,25339-57-5,1213224-27-1
• Molecular Formula: C4H6
• Molecular Weight: 0
• European Community (EC) Number: 203-450-8,953-853-4
• ICSC Number: 0017
• UN Number: 1010
• UNII: JSD5FGP5VD
• DSSTox Substance ID: DTXSID3020203
• Nikkaji Number: J1.242.414K,J4.043F,J3.623.750C
• Wikipedia: Butadiene,1,3-butadiene
• Wikidata: Q161503
• NCI Thesaurus Code: C29790
• Metabolomics Workbench ID: 49537
• ChEMBL ID: CHEMBL537970
• Mol file: 68441-48-5.mol

Synonyms:1,3-butadiene;butadiene;divinyl

Chemical Property of 1,3-Butadiene

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 54.0469501914
• Heavy Atom Count: 4
• Complexity: 21
• Transport DOT Label: Flammable Gas

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Other Monomers
• Canonical SMILES: C=CC=C
• Inhalation Risk: A harmful concentration of this gas in the air will be reached very quickly on loss of containment.
• Effects of Short Term Exposure: The substance at very high concentrations is irritating to the eyes and respiratory tract. Rapid evaporation of the liquid may cause frostbite. Inhalation of high concentrations may cause depression of the central nervous system.
• Effects of Long Term Exposure: The substance may have effects on the bone marrow. This substance is carcinogenic to humans. May cause heritable genetic damage to human germ cells.