β-Bromostyrene (cis- and trans- mixture) - ≥95%(GC) , CAS No.103-64-0

CAS: 103-64-0 Cat. No.: B152003 Molecular Weight: 183.05 EC Number: 203-131-3

GRADE & PURITY ≥95%(GC)

Synonyms

(E)-1-Bromo-2-phenylethene | beta-Bromostyrene, cis + trans | D70190 | B0655 | cid_5353472 | trans-Styryl bromide | KGB403U6YG | (2-Bromoethenyl)benzene | AS-13048 | Benzene, (2-bromoethenyl)-, (E)- | PD118650 | trans-2-Bromostyrene | DTXSID601315060 | MF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

β-Bromostyrene is an α,β-unsaturated aromatic halide. It can be synthesized by catalytic Hunsdiecker reaction (CHR) of cinnamic acid. It is commonly utilized as a precursor for preparing substituted alkenes, corresponding acetylenes and also in the total synthesis of natural compounds and antibiotics.

Specifications

Synonyms

(E)-1-Bromo-2-phenylethene | beta-Bromostyrene, cis + trans | D70190 | B0655 | cid_5353472 | trans-Styryl bromide | KGB403U6YG | (2-Bromoethenyl)benzene | AS-13048 | Benzene, (2-bromoethenyl)-, (E)- | PD118650 | trans-2-Bromostyrene | DTXSID601315060 | MF

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504763566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763566
• Canonical Smiles: C1=CC=C(C=C1)C=CBr
• IUPAC Name: [(E)-2-bromoethenyl]benzene
• InChIKey: YMOONIIMQBGTDU-VOTSOKGWSA-N
• INCHI: 1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/Br
• WGK Germany: 3
• RTECS: WL3850000
• Molecular Weight: 183.05
• Reaxy-Rn: 2038495
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038495&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: Vinyl bromides Bromoalkenes Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol.
• Sensitivity: light & heat & air sensitive
• Refractive Index: 1.61
• Flash Point(°F): 120°C
• Flash Point(°C): 120°C
• Boil Point(°C): 110-112 °C
• Melt Point(°C): 7°C
• Molecular Weight: 183.040 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 181.973 Da
• Monoisotopic Mass: 181.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.700
• 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