Cas no 245524-93-0 (4,6-Dinitro-1H-indole)

4,6-Dinitro-1H-indole is a nitro-substituted indole derivative with significant utility in organic synthesis and pharmaceutical research. Its structure, featuring nitro groups at the 4 and 6 positions, enhances reactivity, making it a valuable intermediate for the preparation of heterocyclic compounds and bioactive molecules. The compound's electron-deficient aromatic system facilitates nucleophilic substitution reactions, enabling precise functionalization. It is particularly useful in the development of agrochemicals, dyes, and pharmacological agents due to its robust chemical framework. High purity grades ensure consistent performance in research and industrial applications. Proper handling is advised due to its potential sensitivity to shock and heat.
4,6-Dinitro-1H-indole structure
4,6-Dinitro-1H-indole structure
Product Name:4,6-Dinitro-1H-indole
CAS No:245524-93-0
MF:C8H5N3O4
MW:207.143001317978
MDL:MFCD01819903
CID:245963
PubChem ID:4619057
Update Time:2025-05-21

4,6-Dinitro-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 4,6-Dinitro-1H-indole
    • 1H-Indole, 4,6-dinitro-
    • 4,6-DINITRO INDOLE
    • 1H-Indole,4,6-dinitro
    • 4,6-dinitrobenzazole
    • 4,6-dinitroindole
    • SR-01000090471-1
    • DTXSID20404965
    • 4, 6-dinitro-1H-indole
    • Oprea1_841928
    • FT-0768630
    • 245524-93-0
    • AKOS001749278
    • CS-0336239
    • SCHEMBL8487610
    • SR-01000090471
    • MDL： MFCD01819903
    • Inchi： 1S/C8H5N3O4/c12-10(13)5-3-7-6(1-2-9-7)8(4-5)11(14)15/h1-4,9H
    • InChI Key： ZDIBNKJWLUKNHH-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=CC(=CC2=C1C=CN2)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 207.02800
  • Monoisotopic Mass: 207.02800565g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 285
  • 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: 1.7
  • Topological Polar Surface Area: 107?2

Experimental Properties

  • PSA: 107.43000
  • LogP: 3.03070

4,6-Dinitro-1H-indole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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 $ 50.00 2022-06-05
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4,6-Dinitro-1H-indole Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:245524-93-0)4,6-DINITRO INDOLE
Order Number:sfd12616
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:36
Price ($):discuss personally

4,6-Dinitro-1H-indole Related Literature

Additional information on 4,6-Dinitro-1H-indole

4,6-Dinitro-1H-Indole: A Comprehensive Overview

4,6-Dinitro-1H-indole (CAS No. 245524-93-0) is a highly reactive aromatic compound that has garnered significant attention in the fields of organic chemistry, materials science, and pharmacology. This compound is characterized by its indole skeleton, which is a bicyclic structure consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing ring. The presence of two nitro groups at the 4 and 6 positions of the indole ring imparts unique electronic and structural properties to the molecule.

The synthesis of 4,6-dinitro-1H-indole has been extensively studied, with researchers exploring various methodologies to optimize its production. Recent advancements have focused on green chemistry approaches, such as using microwave-assisted synthesis or catalytic systems to minimize environmental impact. These methods not only enhance the efficiency of the synthesis process but also reduce the generation of hazardous byproducts.

One of the most intriguing aspects of 4,6-dinitro-1H-indole is its potential application in drug discovery. The compound's ability to act as a scaffold for bioactive molecules has led to its investigation in the development of anticancer agents. Studies have shown that 4,6-dinitro-1H-indole derivatives exhibit significant cytotoxicity against various cancer cell lines, making them promising candidates for further preclinical testing.

In addition to its pharmacological applications, 4,6-dinitro-1H-indole has also found utility in materials science. Its strong electron-withdrawing properties make it an ideal candidate for use in organic electronics. Researchers have explored its incorporation into conductive polymers and organic semiconductors, where it can enhance charge transport properties and improve device performance.

The electronic properties of 4,6-dinitro-1H-indole are further influenced by its ability to undergo various chemical transformations. For instance, the compound can participate in nucleophilic aromatic substitution reactions due to the electron-deficient nature of its indole ring. This reactivity opens up avenues for the synthesis of diverse functionalized derivatives with tailored properties.

Recent studies have also delved into the environmental fate and toxicity of 4,6-dinitro-1H-indole, particularly in light of its potential industrial applications. Research indicates that while the compound exhibits high stability under standard conditions, it can undergo biodegradation under specific microbial or enzymatic conditions. Understanding these processes is crucial for assessing its environmental impact and ensuring safe handling practices.

In conclusion, 4,6-dinitro-1H-indole (CAS No. 245524-93-0) stands out as a versatile and multifaceted compound with applications spanning multiple disciplines. Its unique chemical properties, coupled with ongoing advancements in synthesis and application development, position it as a key player in future scientific innovations.

245524-93-0 (4,6-Dinitro-1H-indole) Related Products

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Suzhou Senfeida Chemical Co., Ltd
(CAS:245524-93-0)4,6-DINITRO INDOLE
sfd12616
Purity:99.9%
Quantity:200kg
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