Polybutadiene , CAS No.9003-17-2

CAS: 9003-17-2 Cat. No.: P478063 Summenformel: [CH₂CH(CH=CH₂)]n EG-Nummer: 618-356-6

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

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Description

Component of water soluble binders and electrical encapsulants.

Spezifikationen

Synonyme

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

Argon charged,Room temperature

Verschickt in

Normal

Namen und Kennungen

Pubchem Sid

508816051

Kanonisches Lächeln

C=CC=C

IUPAC Name

buta-1,3-diene

InChIKey

KAKZBPTYRLMSJV-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C=CC=C

WGK Deutschland

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
    • Klasse Unsaturated hydrocarbons
      • Subclass Olefins
        • Ebene5 Acyclic olefins
          • Ebene6 Alkadienes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in THF, toluene, xylene
• Brechungsindex: 1.5002
• Molekulargewicht: 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