4-bromobicyclo[4.2.0]octa-1(6),2,4-triene - ≥96% , CAS No.1073-39-8

CAS: 1073-39-8 Cat. No.: B132442 Molecular Weight: 183.05 EC Number: 802-317-7

GRADE & PURITY ≥96%

Synonyms

EN300-295267 | 3-bromo-bicyclo[4.2.0]octa-1(6),2,4-triene | 3-BROMOBICYCLO[4.2.0]OCTA-1(6),2,4-TRIENE | 4-Bromobenzocyclobutene | AM20020174 | SY030306 | GMHHTGYHERDNLO-UHFFFAOYSA-N | Bicyclo[4.2.0]octa-1,3,5-triene, 3-bromo- | 3-bromo-bicyclo[4,2,0]octa-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

4- 溴苯并环丁烯是十分重要的树脂合成原料 , 由它出发可合成多种双苯并环丁烯单体。

Specifications

Synonyms

EN300-295267 | 3-bromo-bicyclo[4.2.0]octa-1(6), 2, 4-triene | 3-BROMOBICYCLO[4.2.0]OCTA-1(6), 2, 4-TRIENE | 4-Bromobenzocyclobutene | AM20020174 | SY030306 | GMHHTGYHERDNLO-UHFFFAOYSA-N | Bicyclo[4.2.0]octa-1, 3, 5-triene, 3-bromo- | 3-bromo-bicyclo[4, 2, 0]octa-

Specifications & Purity

≥96%

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

≥96%

Names and Identifiers

• Canonical Smiles: C1CC2=C1C=CC(=C2)Br
• IUPAC Name: 3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
• InChIKey: GMHHTGYHERDNLO-UHFFFAOYSA-N
• INCHI: 1S/C8H7Br/c9-8-4-3-6-1-2-7(6)5-8/h3-5H,1-2H2
• Isomeric SMILES: C1CC2=C1C=CC(=C2)Br
• WGK Germany: 3
• Molecular Weight: 183.05
• Reaxy-Rn: 2499422
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2499422&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Benzenoids Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzenoid - Aryl bromide - Hydrocarbon derivative - Organobromide - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
• 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

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.589
• Flash Point(°F): 212 °F
• Flash Point(°C): 92.1°C
• Boil Point(°C): 221.4 °C at 760 mmHg
• Molecular Weight: 183.040 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• 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: 111.000
• 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

1. Lan Jin, Jie Liu, Lixue Zhu, Jiale Ding, Yunhe Zhang, Zhenhua Jiang.  (2021)  Crosslinked poly (aryl ether ketone)/boron nitride nanocomposites containing a stable chemical bonding structure as high temperature dielectrics.  COMPOSITES SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.compscitech.2021.108949]

2. Gang Huang, Xi-ao Yan, Rongrui Shi, Jing Sun, Qiang Fang.  (2024)  A facile strategy for preparing low dielectric polybutadienes with ultra-low dielectric loss and enhanced thermal stability.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2024.102321]