(E/Z)-1-Bromo-4-(2-bromovinyl)benzene - ≥98% , CAS No.778641-02-4

CAS: 778641-02-4 Cat. No.: E186595 Molecular Weight: 261.9

GRADE & PURITY ≥98%

Synonyms

(e)-beta-bromo-4-bromostyrene | (E/Z)-1-Bromo-4-(2-bromovinyl)benzene | AKOS015835637 | 1-BROMO-2-(4-BROMOPHENYL)ETHYLENE | (Z)-1-Bromo-4-(2-bromovinyl)benzene | MFCD07369177 | 1-Bromo-2-(4-bromophenyl)ethylene (contains cis isomer) | (E)-1-Bromo-4-(2-bro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(e)-beta-bromo-4-bromostyrene | (E/Z)-1-Bromo-4-(2-bromovinyl)benzene | AKOS015835637 | 1-BROMO-2-(4-BROMOPHENYL)ETHYLENE | (Z)-1-Bromo-4-(2-bromovinyl)benzene | MFCD07369177 | 1-Bromo-2-(4-bromophenyl)ethylene (contains cis isomer) | (E)-1-Bromo-4-(2-bro

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1C=CBr)Br
• IUPAC Name: 1-bromo-4-[(E)-2-bromoethenyl]benzene
• InChIKey: AASXNYRCBGBZJK-AATRIKPKSA-N
• INCHI: 1S/C8H6Br2/c9-6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+
• Isomeric SMILES: C1=CC(=CC=C1/C=C/Br)Br
• Molecular Weight: 261.9
• Reaxy-Rn: 3195137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3195137&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Bromobenzenes Aryl bromides Vinyl bromides Bromoalkenes Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 261.940 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 261.882 Da
• Monoisotopic Mass: 259.884 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 112.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1