Cas no 91828-08-9 (3-Bromo-9-methyl-9H-carbazole)

3-Bromo-9-methyl-9H-carbazole structure
3-Bromo-9-methyl-9H-carbazole structure
Product Name:3-Bromo-9-methyl-9H-carbazole
CAS No:91828-08-9
MF:C13H10BrN
MW:260.129202365875
MDL:MFCD00276495
CID:778731
PubChem ID:2729031
Update Time:2025-07-19

3-Bromo-9-methyl-9H-carbazole Chemical and Physical Properties

Names and Identifiers

    • 9H-Carbazole, 3-bromo-9-methyl-
    • 3-BROMO-9-METHYL-9H-CARBAZOLE
    • 3-bromo-9-methylcarbazole
    • 3-bromo-9-methyl-carbazole
    • SY290562
    • MFCD00276495
    • 91828-08-9
    • DTXSID50369558
    • D75715
    • SCHEMBL1923381
    • AS-2031
    • A916310
    • FT-0717595
    • HQENVGAILUHBND-UHFFFAOYSA-N
    • CS-0096047
    • AKOS016339766
    • DB-079182
    • 3-Bromo-9-methyl-9H-carbazole
    • MDL: MFCD00276495
    • Inchi: 1S/C13H10BrN/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-8H,1H3
    • InChI Key: HQENVGAILUHBND-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)C1C=CC=CC=1N2C

Computed Properties

  • Exact Mass: 258.99966g/mol
  • Monoisotopic Mass: 258.99966g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 243
  • 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
  • Topological Polar Surface Area: 4.9?2

Experimental Properties

  • Density: 1.45
  • Boiling Point: 390.8°C at 760 mmHg
  • Flash Point: 190.2°C
  • Refractive Index: 1.661

3-Bromo-9-methyl-9H-carbazole Security Information

3-Bromo-9-methyl-9H-carbazole Pricemore >>

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Additional information on 3-Bromo-9-methyl-9H-carbazole

Comprehensive Overview of 3-Bromo-9-methyl-9H-carbazole (CAS No. 91828-08-9): Properties, Applications, and Industry Trends

3-Bromo-9-methyl-9H-carbazole (CAS No. 91828-08-9) is a halogenated derivative of 9-methylcarbazole, a versatile heterocyclic compound widely utilized in organic synthesis and advanced material science. This brominated analog has gained significant attention due to its unique photophysical properties and role as a key intermediate in the development of organic light-emitting diodes (OLEDs), pharmaceutical intermediates, and functional polymers. With a molecular formula of C13H10BrN and a molecular weight of 260.13 g/mol, this compound exhibits a melting point range of 120-125°C, making it suitable for controlled thermal processing in industrial applications.

The growing demand for high-performance organic semiconductors has positioned 3-Bromo-9-methylcarbazole as a critical building block in optoelectronic materials. Recent studies highlight its exceptional hole-transport properties, which are essential for improving the efficiency of OLED displays and perovskite solar cells—two technologies dominating renewable energy and consumer electronics discussions. Researchers are particularly interested in its ability to form π-conjugated systems when coupled with other aromatic units, enabling tunable emission wavelengths for next-generation flexible displays and wearable sensors.

In pharmaceutical research, 91828-08-9 serves as a precursor for carbazole-based bioactive molecules with potential applications in neurological drug discovery. The bromine substituent at the 3-position allows for further functionalization via cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig animations, addressing the pharmaceutical industry's need for diverse molecular scaffolds. This aligns with current trends in fragment-based drug design, where modular compounds like 3-Bromo-9-methyl-9H-carbazole accelerate lead optimization.

From an environmental perspective, the compound's stability under ambient conditions makes it preferable for green chemistry applications. Manufacturers are increasingly adopting solvent-free synthesis routes and catalytic bromination methods to produce 91828-08-9 with reduced waste generation—a response to the sustainable chemistry movement that resonates with ESG-conscious investors. Analytical techniques like HPLC purity testing and GC-MS characterization ensure compliance with stringent REACH regulations, a frequent search topic among chemical procurement specialists.

The material science community has identified 3-Bromo-9-methylcarbazole derivatives as promising candidates for non-linear optical (NLO) materials, particularly in data storage technologies and optical limiting devices. Its crystalline polymorphs exhibit distinct charge-transfer properties, a subject of numerous computational chemistry studies using density functional theory (DFT)—a methodology frequently queried in academic search engines. These investigations often correlate molecular structure with quantum yield and thermal stability, parameters critical for commercial adoption.

Supply chain analytics reveal expanding markets for CAS 91828-08-9 in Asia-Pacific regions, driven by investments in OLED panel production and organic photovoltaic research. Quality benchmarks now emphasize low metal impurity levels (<0.5 ppm) to meet the exacting standards of electronics-grade chemicals. This specification frequently appears in technical datasheet searches by procurement teams evaluating suppliers for display manufacturing applications.

Innovative formulation strategies are leveraging the compound's radical scavenging capability to develop advanced polymer stabilizers, addressing degradation challenges in engineering plastics exposed to UV radiation. Such applications intersect with trending topics like material longevity and circular economy principles in the plastics industry. Concurrently, structure-activity relationship (SAR) studies continue to explore modifications of the carbazole core to enhance charge mobility in thin-film transistor architectures.

As regulatory landscapes evolve, proper handling protocols for 3-Bromo-9-methyl-9H-carbazole emphasize industrial hygiene measures rather than restrictive classifications, making it accessible for responsible research. The compound's compatibility with continuous flow chemistry systems answers the chemical industry's push toward process intensification—a hot topic in patent literature and process engineering forums. This adaptability ensures its relevance in both academic laboratories and pilot-scale production environments.

Future directions include exploring its supramolecular chemistry potential through host-guest interactions and developing water-soluble derivatives for biological imaging probes. These applications capitalize on the inherent fluorescence properties of the carbazole moiety while addressing current limitations in bioavailability—a frequent pain point discussed in medicinal chemistry publications. With ongoing advancements in catalytic functionalization techniques, CAS 91828-08-9 remains at the forefront of multidisciplinary chemical innovation.

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