Cas no 952183-46-9 (7-Bromo-4-methyl-5-nitro-1H-indazole)

7-Bromo-4-methyl-5-nitro-1H-indazole is a heterocyclic organic compound featuring a bromo-substituted indazole core with additional methyl and nitro functional groups. This structurally distinct molecule serves as a valuable intermediate in pharmaceutical and agrochemical research, particularly in the synthesis of bioactive compounds. Its bromo and nitro substituents enhance reactivity, enabling selective cross-coupling and reduction reactions for further derivatization. The compound’s well-defined crystalline structure ensures high purity and stability, making it suitable for precise synthetic applications. Researchers favor it for its versatility in constructing complex heterocyclic frameworks, contributing to the development of novel therapeutic agents and specialty chemicals.
7-Bromo-4-methyl-5-nitro-1H-indazole structure
952183-46-9 structure
Product Name:7-Bromo-4-methyl-5-nitro-1H-indazole
CAS No:952183-46-9
MF:C8H6BrN3O2
MW:256.056140422821
MDL:MFCD09607937
CID:1070985
PubChem ID:24213819
Update Time:2025-05-22

7-Bromo-4-methyl-5-nitro-1H-indazole Chemical and Physical Properties

Names and Identifiers

    • 7-Bromo-4-methyl-5-nitro-1H-indazole
    • AKOS005072049
    • FT-0723929
    • MFCD09607937
    • 952183-46-9
    • DTXSID50640011
    • J-519146
    • L-Alloisoleucinemethyl esterhydrochloride
    • CB-0855
    • DB-014356
    • 7-bromo-4-methyl-5-nitro-2H-indazole
    • MDL: MFCD09607937
    • Inchi: 1S/C8H6BrN3O2/c1-4-5-3-10-11-8(5)6(9)2-7(4)12(13)14/h2-3H,1H3,(H,10,11)
    • InChI Key: BTXHZXXRESXPMC-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C)C2C=NNC=21)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 254.96434g/mol
  • Monoisotopic Mass: 254.96434g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 245
  • 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: 2.4
  • Topological Polar Surface Area: 74.5?2

Experimental Properties

  • Melting Point: 204-206°

7-Bromo-4-methyl-5-nitro-1H-indazole Security Information

  • HazardClass:IRRITANT

7-Bromo-4-methyl-5-nitro-1H-indazole Pricemore >>

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Additional information on 7-Bromo-4-methyl-5-nitro-1H-indazole

7-Bromo-4-methyl-5-nitro-1H-indazole: A Comprehensive Overview

The compound 7-Bromo-4-methyl-5-nitro-1H-indazole, with the CAS Registry Number 952183-46-9, is a highly specialized organic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound belongs to the indazole family, a class of heterocyclic aromatic compounds known for their unique electronic properties and versatile applications. The structure of 7-Bromo-4-methyl-5-nitro-1H-indazole features a bromine atom at the 7th position, a methyl group at the 4th position, and a nitro group at the 5th position, all of which contribute to its distinctive chemical behavior and reactivity.

Recent studies have highlighted the potential of 7-Bromo-4-methyl-5-nitro-1H-indazole as a promising candidate in drug discovery. The presence of electron-withdrawing groups like the nitro group and bromine atom enhances the compound's ability to act as a substrate in various enzymatic reactions. For instance, researchers have explored its role as a kinase inhibitor, demonstrating its potential in targeting specific signaling pathways associated with cancer progression. The methyl group at the 4th position further modulates the compound's pharmacokinetic properties, making it more amenable for therapeutic applications.

In addition to its pharmacological significance, 7-Bromo-4-methyl-5-nitro-1H-indazole has shown remarkable potential in materials science. Its unique electronic configuration makes it an ideal candidate for use in organic electronics. Recent advancements have utilized this compound as a building block for constructing advanced materials such as organic semiconductors and light-emitting diodes (OLEDs). The bromine and nitro groups play a crucial role in tuning the electronic properties of these materials, enabling them to achieve higher efficiency and stability.

The synthesis of 7-Bromo-4-methyl-5-nitro-1H-indazole involves a multi-step process that typically begins with the preparation of indazole derivatives. The introduction of substituents at specific positions requires precise control over reaction conditions to ensure high yields and purity. Recent research has focused on optimizing these synthetic routes, leveraging green chemistry principles to minimize environmental impact while maintaining scalability.

The physical properties of 7-Bromo-4-methyl-5-nitro-1H-indazole, including its melting point, solubility, and stability under various conditions, have been extensively characterized. These properties are critical for determining its suitability in different applications. For example, its high thermal stability makes it ideal for use in high-performance materials, while its solubility characteristics influence its bioavailability in pharmaceutical formulations.

In conclusion, 7-Bromo-4-methyl-5-nitro-1H-indazole stands out as a versatile compound with wide-ranging applications across multiple disciplines. Its unique structure and functional groups endow it with exceptional chemical and physical properties that continue to drive innovative research and development efforts. As scientific understanding of this compound deepens, it is anticipated that new breakthroughs will emerge, further solidifying its importance in modern science and technology.

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