4-Bromostyrene - ≥95%, stabilized with 100-500 ppm 4-tert-butylcatechol , CAS No.2039-82-9

CAS: 2039-82-9 Cat. No.: B102167 Molecular Weight: 183.05 Beilstein Registry Number: 1634204 EC Number: 218-022-6

GRADE & PURITY ≥95%, stabilized with 100-500 ppm 4-tert-butylcatechol

Synonyms

4-Bromostyrene (0.2% t-Butylcatachol added as inhibitor) | p-BROMO STYRENE | W-107626 | p-Bromostyrene | p-bromo-styrene | 4-Bromostyrene - stabilized with 0.1% 4-tert-butylcatechol | NSC 60393 | 1-Bromo-4-vinylbenzene # | 4-BROMOSTYRENE | 4-Bromo-styrene

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

4-Bromostyrene is a para-halogenated styrene derivative. The proton spectra of 4-bromostyrene exhibits dipolar couplings consistent with planar ground state structures, only if the torsional motion of lowest frequency occurs at about 80cm-1. It undergoes Heck reaction with 2-bromo-6-methoxynaphthalene in the presence of sodium acetate and Hermann′s catalyst in N,N-dimethylacetamide to afford diarylethene.

Specifications

Synonyms

4-Bromostyrene (0.2% t-Butylcatachol added as inhibitor) | p-BROMO STYRENE | W-107626 | p-Bromostyrene | p-bromo-styrene | 4-Bromostyrene - stabilized with 0.1% 4-tert-butylcatechol | NSC 60393 | 1-Bromo-4-vinylbenzene # | 4-BROMOSTYRENE | 4-Bromo-styrene

Specifications & Purity

≥95%, stabilized with 100-500 ppm 4-tert-butylcatechol

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 528760680
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528760680
• Canonical Smiles: C=CC1=CC=C(C=C1)Br
• IUPAC Name: 1-bromo-4-ethenylbenzene
• InChIKey: WGGLDBIZIQMEGH-UHFFFAOYSA-N
• INCHI: 1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
• Isomeric SMILES: C=CC1=CC=C(C=C1)Br
• WGK Germany: 3
• Molecular Weight: 183.05
• Beilstein: 1634204
• Reaxy-Rn: 1634204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634204&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 Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Bromobenzene - Aryl halide - Aryl 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

• Solubility: Miscible with ethanol, ether and benzene.
• Sensitivity: light sensitive；heat sensitive
• Refractive Index: 1.594
• Flash Point(°F): 167.0 °F
• Flash Point(°C): 75°C
• Boil Point(°C): 89°C
• Molecular Weight: 183.040 g/mol
• XLogP3: 3.400
• 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: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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