Cas no 46710-21-8 (Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1))

Phenothiazin-5-ium, 3,7-dibromo-, bromide (1:1) is a brominated phenothiazinium derivative with applications in organic synthesis and materials science. The compound features a planar conjugated structure, enhanced by the introduction of bromine substituents at the 3- and 7-positions, which improve its electron-accepting properties and stability. This modification also increases its utility as a precursor for further functionalization or as a redox-active component in electrochemical systems. The bromide counterion ensures solubility in polar solvents, facilitating its use in solution-phase reactions. Its well-defined structure and reactivity make it a valuable intermediate for developing dyes, sensors, or optoelectronic materials.
Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) structure
46710-21-8 structure
Product Name:Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1)
CAS No:46710-21-8
MF:C12H6Br3NS
MW:435.959739208221
CID:325542
PubChem ID:16213275
Update Time:2025-11-02

Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1)
    • 3,7-dibromophenothiazin-5-ium,bromide
    • AKOS040767044
    • SCHEMBL1146700
    • YSZC901
    • GZCQBWPKNZFNPF-UHFFFAOYSA-M
    • CS-0169822
    • 3,7-Dibromophenothiazin-5-ium bromide
    • 46710-21-8
    • DTXSID30583836
    • 3,7-Dibromophenothiazin-5-iumbromide
    • 3 7-DIBROMOPHENOTHIAZIN-5-IUM BROMIDE
    • 3,7-dibromophenothiazin-5-ium;bromide
    • G69394
    • 3,7-DIBROMO-5??-PHENOTHIAZIN-5-YLIUM BROMIDE
    • Inchi: 1S/C12H6Br2NS.BrH/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;/h1-6H;1H/q+1;/p-1
    • InChI Key: GZCQBWPKNZFNPF-UHFFFAOYSA-M
    • SMILES: BrC1C=CC2C(C=1)=[S+]C1C=C(C=CC=1N=2)Br.[Br-]

Computed Properties

  • Exact Mass: 434.77506g/mol
  • Monoisotopic Mass: 432.77711g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 239
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 41.1?2

Experimental Properties

  • Color/Form: Not available
  • Melting Point: 155?°C (dec.)(lit.)
  • Solubility: Not available

Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi

Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) Pricemore >>

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Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) Related Literature

Additional information on Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1)

Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) (CAS No. 46710-21-8): A Comprehensive Overview

Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) (CAS No. 46710-21-8) is a brominated derivative of phenothiazine, a compound known for its diverse applications in various fields. This specific derivative has garnered attention due to its unique chemical properties and potential uses in research and industrial applications. The compound's molecular structure, characterized by the presence of bromine atoms, contributes to its distinct reactivity and functionality.

The chemical formula of Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) is C12H8Br3N2S, and it belongs to the class of phenothiazine derivatives. These derivatives are widely studied for their electronic and photophysical properties, making them valuable in materials science and organic electronics. The bromination at the 3 and 7 positions enhances the compound's stability and alters its electronic characteristics, which is a topic of interest for researchers exploring advanced functional materials.

One of the key areas where Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) finds application is in the development of organic semiconductors. With the growing demand for flexible and lightweight electronic devices, researchers are increasingly focusing on organic compounds that can exhibit semiconducting behavior. The brominated phenothiazine derivative is being investigated for its potential use in organic light-emitting diodes (OLEDs) and photovoltaic cells, where its ability to facilitate charge transport is highly valued.

Another emerging application of Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) is in the field of biomedical research. Phenothiazine derivatives have historically been explored for their pharmacological properties, and the brominated variants are no exception. While this compound is not a drug itself, its structural features make it a candidate for further studies in drug discovery and molecular imaging. Researchers are particularly interested in its potential as a fluorescent probe due to its photostability and tunable emission properties.

The synthesis of Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) typically involves the bromination of phenothiazine under controlled conditions. The process requires careful optimization to ensure high yield and purity, as the presence of bromine atoms can influence the compound's reactivity. Advanced analytical techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry are employed to characterize the compound and confirm its structure.

In the context of environmental sustainability, the use of brominated compounds has been a topic of discussion. While Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) is not classified as hazardous, researchers are exploring greener alternatives and sustainable synthesis methods to minimize environmental impact. This aligns with the broader trend in the chemical industry towards green chemistry and sustainable practices.

The market for Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) is niche but growing, driven by its applications in advanced materials and biomedical research. Suppliers and manufacturers are increasingly offering this compound in high purity grades to meet the demands of research institutions and industrial laboratories. The compound's CAS No. 46710-21-8 serves as a unique identifier, ensuring accurate sourcing and regulatory compliance.

For researchers and professionals working with Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1), it is essential to handle the compound with standard laboratory precautions. While it is not classified as a hazardous material, proper storage conditions—such as protection from light and moisture—are recommended to maintain its stability over time. The compound's shelf life can be extended by storing it in a cool, dry environment.

In summary, Phenothiazin-5-ium,3,7-dibromo-, bromide (1:1) (CAS No. 46710-21-8) is a versatile compound with promising applications in organic electronics, biomedical research, and advanced materials. Its unique properties, derived from the bromination of the phenothiazine core, make it a subject of ongoing research and development. As the demand for innovative materials and sustainable solutions grows, this compound is likely to play a significant role in future technological advancements.

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