Cas no 3393-00-8 (4'-BROMO-4-(METHYLTHIO)-BIPHENYL)

4'-Bromo-4-(methylthio)-biphenyl is a brominated biphenyl derivative featuring a methylthio substituent at the 4-position. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. The bromine atom enhances reactivity for cross-coupling reactions, such as Suzuki or Heck couplings, while the methylthio group offers potential for further functionalization. Its well-defined structure and stability make it a valuable building block for constructing complex aromatic systems. The compound is typically handled under standard laboratory conditions, with appropriate precautions for brominated aromatic compounds. Its purity and consistent performance are critical for reproducible synthetic outcomes.
4'-BROMO-4-(METHYLTHIO)-BIPHENYL structure
3393-00-8 structure
Product Name:4'-BROMO-4-(METHYLTHIO)-BIPHENYL
CAS No:3393-00-8
MF:C13H11BrS
MW:279.195441484451
MDL:MFCD06201356
CID:2199573
PubChem ID:2757072
Update Time:2025-10-22

4'-BROMO-4-(METHYLTHIO)-BIPHENYL Chemical and Physical Properties

Names and Identifiers

    • 4'-BROMO-4-(METHYLTHIO)-BIPHENYL
    • 4-bromo-4'-methylsulfanyl-biphenyl
    • DTXSID30955514
    • G72143
    • 3393-00-8
    • SCHEMBL6843035
    • (4'-Bromo-[1,1'-biphenyl]-4-yl)(methyl)sulfane
    • 4-BROMO-4'-(METHYLSULFANYL)-1,1'-BIPHENYL
    • 1-bromo-4-(4-methylsulfanylphenyl)benzene
    • 4-Bromo-4'-(methylthio)biphenyl
    • AKOS004114122
    • MDL: MFCD06201356
    • Inchi: 1S/C13H11BrS/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
    • InChI Key: JUDYTMYLNUSWQC-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1C=CC(=CC=1)SC

Computed Properties

  • Exact Mass: 277.976
  • Monoisotopic Mass: 277.976
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 5.5
  • Topological Polar Surface Area: 25.3?2

Experimental Properties

  • Density: 1.44
  • Boiling Point: 371.6 °C at 760 mmHg
  • Flash Point: 178.5 °C

4'-BROMO-4-(METHYLTHIO)-BIPHENYL Pricemore >>

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Additional information on 4'-BROMO-4-(METHYLTHIO)-BIPHENYL

4'-Bromo-4-(Methylthio)-Biphenyl (CAS No. 3393-00-8): A Comprehensive Overview

The compound 4'-Bromo-4-(Methylthio)-Biphenyl, identified by the CAS registry number CAS No. 3393-00-8, is a significant molecule in the field of organic chemistry. This compound belongs to the class of biphenyl derivatives, which are widely studied due to their unique electronic properties and potential applications in various industries. The structure of this compound consists of two phenyl rings connected by a single bond, with substituents at the 4' and 4 positions: a bromine atom and a methylthio group, respectively.

The methylthio group (-SCH?) is a sulfur-containing functional group that imparts distinctive chemical properties to the molecule. This group is known for its ability to stabilize adjacent aromatic rings through resonance effects, which can influence the compound's reactivity and stability. The presence of the bromine atom at the para position further enhances the molecule's versatility, as halogen substituents are often involved in various chemical transformations, such as nucleophilic aromatic substitutions and coupling reactions.

Recent studies have highlighted the potential of 4'-Bromo-4-(Methylthio)-Biphenyl in the development of advanced materials. For instance, researchers have explored its use in the synthesis of novel polymers and organic semiconductors. The compound's ability to form stable π-conjugated systems makes it an attractive candidate for applications in optoelectronics, such as organic light-emitting diodes (OLEDs) and photovoltaic devices. These findings underscore its importance in cutting-edge materials science research.

In addition to its material applications, 4'-Bromo-4-(Methylthio)-Biphenyl has shown promise in medicinal chemistry. Its unique structure allows for interactions with biological systems, making it a potential lead compound for drug discovery. Recent investigations have focused on its role as a modulator of cellular signaling pathways, particularly in cancer biology. The compound's ability to inhibit specific enzymes or receptors has been studied extensively, with encouraging results suggesting its potential as an anti-cancer agent.

The synthesis of 4'-Bromo-4-(Methylthio)-Biphenyl typically involves multi-step organic reactions, often utilizing coupling agents and transition metal catalysts. Recent advancements in catalytic methods have improved the efficiency and scalability of these reactions, making the compound more accessible for large-scale production. Moreover, green chemistry approaches have been explored to minimize environmental impact during synthesis, aligning with current sustainability goals in the chemical industry.

From an environmental perspective, understanding the fate and behavior of CAS No. 3393-00-8 in natural systems is crucial. Studies have examined its biodegradation pathways and toxicity profiles, providing insights into its potential ecological risks. These findings are essential for regulatory agencies and industries to ensure safe handling and disposal practices.

In conclusion, 4'-Bromo-4-(Methylthio)-Biphenyl (CAS No. 3393-00-8) stands out as a versatile and intriguing molecule with diverse applications across multiple disciplines. Its unique chemical properties continue to drive innovative research, offering new opportunities for advancements in materials science, medicinal chemistry, and beyond.

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