Polybutadiene (PBR) - average Mₙ ~5,000 , CAS No.9003-17-2

CAS: 9003-17-2 Cat. No.: P477971 Formula: [CH₂CH(CH=CH₂)]n Numero EC: 618-356-6

QUALITÀ & PUREZZA average Mₙ ~5,000

Synonyms

Buta-1,3-dien | Pyrrolylene | 1,3-Butadiene (ca. 15% in Toluene) | alpha,gamma-Butadiene | BUTADIENE [INCI] | Butadiene-1,3-uninhibited | HSDB 181 | Buta-1,3-dien [German] | Buta-1,3-diene | 1,3-Butadiene 250 microg/mL in N,N-Dimethylacetamide | CHEBI:394

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

Buta-1,3-dien | Pyrrolylene | 1,3-Butadiene (ca. 15% in Toluene) | alpha,gamma-Butadiene | BUTADIENE [INCI] | Butadiene-1,3-uninhibited | HSDB 181 | Buta-1,3-dien [German] | Buta-1,3-diene | 1,3-Butadiene 250 microg/mL in N,N-Dimethylacetamide | CHEBI:394

Specifiche e purezza

average Mₙ ~5,000

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Nomi e identificatori

Pubchem Sid

528774782

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528774782

Sorrisi canonici

C=CC=C

IUPAC Name

buta-1,3-diene

InChIKey

KAKZBPTYRLMSJV-UHFFFAOYSA-N

INCHI

1S/C4H6/c1-3-4-2/h3-4H,1-2H2

Isomeri SMILES

C=CC=C

WGK Germania

3

Reaxy-Rn

605258

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605258&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Acyclic olefins
          • Level6 Alkadienes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Acyclic olefins
• Direct Parent: Alkadienes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkadiene - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkadienes. These are acyclic hydrocarbons that contain exactly two carbon-to-carbon double bonds.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in THF, toluene, xylene
• Indice di rifrazione: 1.5002
• Peso molecolare: 54.090 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 54.047 Da
• Monoisotopic Mass: 54.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 21.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1