3-Bromostyrene - ≥96%(GC), contains0.1% TBC as stabilizer , CAS No.2039-86-3

CAS: 2039-86-3 Cat. No.: B121722 Peso molecular: 183.05 Beilstein Registry Number: 2038490 Número EC: 218-025-2

GRADE & PURITY ≥96%(GC), contains0.1% TBC as stabilizer

Synonyms

J7.857C | 1-Bromo-3-vinylbenzene | 1-bromo-3-vinyl-benzene | MFCD01681551 | 3-Bromostyrene, 97%, contains 0.1% 3,5-di-tert-butylcatechol as inhibitor | m-Bromostyrene | 3-BrC6H4CH=CH2 | EINECS 218-025-2 | SCHEMBL50668 | Q27265672 | 1-bromo-3-ethenylbenzen

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

J7.857C | 1-Bromo-3-vinylbenzene | 1-bromo-3-vinyl-benzene | MFCD01681551 | 3-Bromostyrene, 97%, contains 0.1% 3, 5-di-tert-butylcatechol as inhibitor | m-Bromostyrene | 3-BrC6H4CH=CH2 | EINECS 218-025-2 | SCHEMBL50668 | Q27265672 | 1-bromo-3-ethenylbenzen

Especificaciones y pureza

≥96%(GC), contains0.1% TBC as stabilizer

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504754878
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754878
• Sonrisas canónicas: C=CC1=CC(=CC=C1)Br
• IUPAC Name: 1-bromo-3-ethenylbenzene
• InChIKey: KQJQPCJDKBKSLV-UHFFFAOYSA-N
• INCHI: 1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
• Isómeros SMILES: C=CC1=CC(=CC=C1)Br
• WGK Alemania: 3
• Peso molecular: 183.05
• Beilstein: 2038490
• Reaxy-Rn: 2038490
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038490&ln=

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: 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
• 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

• Solubilidad: Soluble in Methanol
• Sensibilidad: Light Sensitive,Heat Sensitive
• Índice de refracción: 1.591
• Punto de inflamación (°F): 67°C
• Punto de inflamación (°C): 67°C
• Punto de ebullición (°C): 94°C/20mmHg
• Peso molecular: 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: 98.700
• 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

Referencias

1. Guangjun Ji, CunYao Li, Xiangsong Lin, Xiao-Feng Wu, Li Yan, Yunjie Ding.  (2022)  Fabrication of the Microenvironment and Active Structure of Single-Rh-Site Catalysts for Efficient Hydroformylation of Olefins.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.2c04674]

2. Qiang Chen, Zhi-Pu Li, Xiao-Qiong Pei, Yan Liu, M. Qaiser Fatmi, Zhong-Liu Wu.  (2024)  Thermostabilization and molecular dynamics simulation of NaStyA for highly enantioselective (R)-epoxidation of styrene analogues.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.114312]

3. Guangjun Ji, Cunyao Li, Dong Xiao, Guoqing Wang, Zhao Sun, Miao Jiang, Guangjin Hou, Li Yan, Yunjie Ding.  (2021)  The effect of the position of cross-linkers on the structure and microenvironment of PPh3 moiety in porous organic polymers.  Journal of Materials Chemistry A,  9  (14): (9165-9174).  [PMID:] [10.1039/D0TA12316A]