1-(4-Bromo-butyl)-4-vinylbenzene - ≥95%, stabilized with TBC , CAS No.41996-97-8

CAS: 41996-97-8 Cat. No.: B1020337 Peso molecular: 239.15 PubChem CID: 11118135

GRADE & PURITY ≥95%, stabilized with TBC

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%, stabilized with TBC

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C=CC1=CC=C(C=C1)CCCCBr
• IUPAC Name: 1-(4-bromobutyl)-4-ethenylbenzene
• InChIKey: UCDGLMPOKKXSDM-UHFFFAOYSA-N
• INCHI: 1S/C12H15Br/c1-2-11-6-8-12(9-7-11)5-3-4-10-13/h2,6-9H,1,3-5,10H2
• Isómeros SMILES: C=CC1=CC=C(C=C1)CCCCBr
• PubChem CID: 11118135
• Peso molecular: 239.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Peso molecular: 239.150 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 238.036 Da
• Monoisotopic Mass: 238.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 134.000
• 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