Cas no 86456-68-0 (2-Bromo-5-methylnaphthalene)

2-Bromo-5-methylnaphthalene structure
2-Bromo-5-methylnaphthalene structure
Product Name:2-Bromo-5-methylnaphthalene
CAS No:86456-68-0
MF:C11H9Br
MW:221.093162298203
CID:1015903
PubChem ID:12327039
Update Time:2025-04-24

2-Bromo-5-methylnaphthalene Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-5-methylnaphthalene
    • 6-bromo-1-methylnaphthalene
    • SCHEMBL6404410
    • 86456-68-0
    • FT-0722040
    • DTXSID40489779
    • DB-083854
    • Inchi: 1S/C11H9Br/c1-8-3-2-4-9-7-10(12)5-6-11(8)9/h2-7H,1H3
    • InChI Key: UQOWKZZSGRVPTA-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C)C=CC=C2C=1

Computed Properties

  • Exact Mass: 219.98876g/mol
  • Monoisotopic Mass: 219.98876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 155
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 0?2

2-Bromo-5-methylnaphthalene Pricemore >>

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Additional information on 2-Bromo-5-methylnaphthalene

2-Bromo-5-methylnaphthalene: A Comprehensive Overview

The compound CAS No. 86456-68-0, also known as 2-Bromo-5-methylnaphthalene, is a fascinating organic compound that has garnered significant attention in various fields of chemistry and materials science. This compound belongs to the family of brominated naphthalenes, which are widely studied for their unique electronic properties and potential applications in advanced materials. In this article, we will delve into the structural characteristics, synthesis methods, applications, and recent research findings related to 2-Bromo-5-methylnaphthalene.

Chemical Structure and Properties

2-Bromo-5-methylnaphthalene features a naphthalene backbone with a bromine atom at the 2-position and a methyl group at the 5-position. This substitution pattern imparts unique electronic and steric properties to the molecule. The bromine atom introduces electron-withdrawing effects, while the methyl group provides steric hindrance and enhances hydrophobicity. These characteristics make 2-Bromo-5-methylnaphthalene an interesting candidate for various chemical transformations and functionalization strategies.

Synthesis and Characterization

The synthesis of 2-Bromo-5-methylnaphthalene typically involves electrophilic aromatic substitution reactions. Recent studies have explored optimized conditions for bromination of naphthalene derivatives, focusing on yield improvement and selectivity enhancement. For instance, researchers have employed microwave-assisted synthesis techniques to achieve higher yields of 2-Bromo-5-methylnaphthalene with minimal side reactions. Advanced characterization techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography have been utilized to confirm the structure and purity of the compound.

Applications in Materials Science

2-Bromo-5-methylnaphthalene has found applications in the development of advanced materials, particularly in the field of organic electronics. Its electron-deficient nature makes it a promising candidate for use in semiconducting polymers and organic photovoltaic devices. Recent research has demonstrated that incorporating 2-Bromo-5-methylnaphthalene into conjugated polymer systems can significantly enhance charge transport properties, leading to improved device performance.

Toxicological and Environmental Considerations

The environmental impact of CAS No. 86456-68-0 has been a topic of interest due to its potential release during industrial processes. Studies have shown that 2-Bromo-5-methylnaphthalene strong> undergoes biodegradation under specific environmental conditions, but its persistence in certain ecosystems remains a concern. Regulatory agencies are increasingly focusing on minimizing the environmental footprint of such compounds through improved waste management practices.

< strong >Future Research Directions strong > p > < p >Recent advancements in computational chemistry have opened new avenues for studying the properties of< strong > 2 - Bromo - 5 - methylnaphthalene strong > at the molecular level . Researchers are leveraging machine learning algorithms to predict its reactivity under various conditions , enabling more efficient design of synthetic routes . Additionally , investigations into its potential use in bio-related applications , such as drug delivery systems , are underway . These developments highlight the versatility and importance of< strong > CAS No . 86456 - 68 - 0 strong > in modern chemistry . p > article > response >

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