Cas no 59601-91-1 (5,6-Dinitroindazole)

5,6-Dinitroindazole is a nitro-substituted indazole derivative with applications in pharmaceutical and chemical research. Its structure features two nitro groups at the 5- and 6-positions, enhancing its reactivity and utility as an intermediate in synthetic chemistry. This compound is valued for its potential in the development of energetic materials and bioactive molecules due to its stable yet modifiable framework. Its high purity and well-defined properties make it suitable for precise experimental work, including heterocyclic synthesis and medicinal chemistry studies. Researchers appreciate its consistent performance in reactions requiring nitroaromatic precursors, offering a reliable building block for advanced chemical applications.
5,6-Dinitroindazole structure
5,6-Dinitroindazole structure
Product Name:5,6-Dinitroindazole
CAS No:59601-91-1
MF:C7H4N4O4
MW:208.131060600281
CID:376003
PubChem ID:96063
Update Time:2025-06-12

5,6-Dinitroindazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Indazole,5,6-dinitro-
    • 5,6-Dinitroindazole
    • 5,6-dinitro-1H-indazole
    • 1H-Indazole,5,6-dinitro
    • 5,6-Dinitroindazol
    • EINECS 261-823-0
    • UNII-7SQR4L6L95
    • 7SQR4L6L95
    • NS00034197
    • NSC-49913
    • SCHEMBL11680975
    • DTXSID80208284
    • NSC 49913
    • 59601-91-1
    • FT-0667581
    • 1H-Indazole, 5,6-dinitro-
    • TXKLPRHOQGGDQY-UHFFFAOYSA-N
    • AKOS030239917
    • NSC49913
    • 5,6-Dinitro-1H-indazole; NSC 49913;
    • DTXCID00130775
    • DB-317024
    • Inchi: 1S/C7H4N4O4/c12-10(13)6-1-4-3-8-9-5(4)2-7(6)11(14)15/h1-3H,(H,8,9)
    • InChI Key: TXKLPRHOQGGDQY-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC2=C(C=NN2)C=C1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 208.02300
  • Monoisotopic Mass: 208.023
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 286
  • 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: 1.9
  • Topological Polar Surface Area: 120A^2

Experimental Properties

  • Density: 1.752
  • Melting Point: 234-235°C
  • Boiling Point: 506.4°C at 760 mmHg
  • Flash Point: 260°C
  • Refractive Index: 1.777
  • PSA: 120.32000
  • LogP: 2.42570

5,6-Dinitroindazole Pricemore >>

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5,6-Dinitroindazole Production Method

5,6-Dinitroindazole Related Literature

Additional information on 5,6-Dinitroindazole

Comprehensive Overview of 5,6-Dinitroindazole (CAS No. 59601-91-1): Properties, Applications, and Research Insights

5,6-Dinitroindazole (CAS No. 59601-91-1) is a specialized nitro-substituted indazole derivative that has garnered significant attention in organic chemistry and materials science. With its unique molecular structure featuring two nitro groups at the 5- and 6-positions of the indazole ring, this compound exhibits distinct chemical reactivity and potential applications. Researchers and industry professionals often search for terms like "5,6-Dinitroindazole synthesis", "CAS 59601-91-1 applications", or "nitroindazole derivatives", reflecting growing interest in its properties and uses.

The compound's molecular formula, C7H4N4O4, and molecular weight of 208.13 g/mol make it a subject of study in heterocyclic chemistry. Recent trends show increased searches for "green chemistry approaches for nitroindazoles" and "5,6-Dinitroindazole solubility data", indicating demand for environmentally friendly synthesis methods and physicochemical characterization. The compound's crystalline nature and moderate stability under standard conditions contribute to its research utility.

In pharmaceutical research, 5,6-Dinitroindazole serves as a valuable intermediate for developing novel bioactive compounds. While not itself therapeutic, its structural features make it a key building block in medicinal chemistry explorations. Search analytics reveal frequent queries about "indazole derivatives in drug discovery" and "nitro group reactivity in heterocycles", highlighting its relevance to modern drug development strategies. The compound's electron-deficient aromatic system enables diverse substitution reactions valuable for structure-activity relationship studies.

Materials science applications of CAS 59601-91-1 include its potential use in advanced functional materials. Researchers investigating "nitroaromatic compounds for electronic materials" or "indazole-based coordination complexes" often encounter this compound. Its ability to participate in charge-transfer interactions and coordinate with metal ions makes it interesting for designing novel materials with tailored electronic properties. Recent publications have explored its derivatives in contexts ranging from organic semiconductors to metal-organic frameworks.

Analytical characterization of 5,6-Dinitroindazole typically involves techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography. Laboratory professionals frequently search for "59601-91-1 spectroscopic data" and "Dinitroindazole HPLC methods", underscoring the need for reliable analytical protocols. The compound shows characteristic UV-Vis absorption maxima around 260-280 nm and 350-370 nm, valuable for detection and quantification in complex matrices.

Safety considerations for handling 5,6-Dinitroindazole follow standard laboratory practices for nitroaromatic compounds. While not classified as highly hazardous, proper personal protective equipment and ventilation are recommended during manipulation. The scientific community shows growing interest in "sustainable handling of nitro compounds" and "biodegradation of nitrated heterocycles", reflecting broader environmental consciousness in chemical research.

Future research directions for CAS 59601-91-1 may explore its catalytic applications or further modifications to enhance specific properties. Emerging search terms like "catalytic applications of nitroindazoles" and "59601-91-1 derivative libraries" suggest expanding investigation areas. The compound's versatility continues to make it a valuable tool for synthetic chemists developing new methodologies in heterocyclic chemistry.

Commercial availability of 5,6-Dinitroindazole varies by region, with specialty chemical suppliers typically offering it for research purposes. Procurement-related searches often include "59601-91-1 suppliers" and "Dinitroindazole pricing", indicating practical considerations for researchers. Proper storage in cool, dry conditions away from strong oxidizers helps maintain its stability over extended periods.

In summary, 5,6-Dinitroindazole (CAS No. 59601-91-1) represents an important nitro-substituted heterocycle with diverse research applications. Its unique chemical properties and synthetic versatility continue to inspire investigations across multiple disciplines, from fundamental organic chemistry to applied materials science. The compound's ongoing relevance is evidenced by persistent search interest and frequent appearance in recent scientific literature.

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