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

CAS: 2039-82-9 Cat. No.: B102167 分子式: C₈H₇Br 分子量: 183.05 Beilstein Registry Number: 1634204 EC番号: 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

概要

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

同義語

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

仕様と純度

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

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

528760680

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528760680

カノニカル・スマイル

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

異性体SMILES

C=CC1=CC=C(C=C1)Br

WGKドイツ

3

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Miscible with ethanol, ether and benzene.
• 感度: light sensitive；heat sensitive
• 屈折率: 1.594
• 引火点（°F）: 167.0 °F
• 引火点（°C）: 75°C
• 沸点（°C）: 89°C
• 分子量: 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