Cas no 13058-73-6 (7-Nitroisoquinoline)

7-Nitroisoquinoline is a heterocyclic aromatic compound featuring a nitro group at the 7-position of the isoquinoline ring. This structural modification enhances its reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The nitro group facilitates further functionalization, enabling the production of derivatives with tailored properties. Its high purity and stability under standard conditions ensure reliable performance in reactions such as nucleophilic substitutions and reductions. 7-Nitroisoquinoline is commonly utilized in the development of bioactive molecules, including potential therapeutic agents, due to its ability to serve as a scaffold for complex molecular architectures. Its well-characterized properties support consistent results in research and industrial applications.
7-Nitroisoquinoline structure
7-Nitroisoquinoline structure
Product Name:7-Nitroisoquinoline
CAS No:13058-73-6
MF:C9H6N2O2
MW:174.156141757965
MDL:MFCD09264588
CID:1028139
PubChem ID:12216277
Update Time:2025-06-25

7-Nitroisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 7-Nitroisoquinoline
    • 7-Nitro-isochinolin
    • 7-Nitro-isoquinoline
    • QC-2117
    • RW3248
    • 13058-73-6
    • SY021175
    • EN300-108431
    • DTXSID10480874
    • CS-0131688
    • Isoquinoline, 7-nitro-
    • MFCD09264588
    • AM807233
    • DS-14010
    • AC-9599
    • NYHHIPIPUVLUFF-UHFFFAOYSA-N
    • AKOS006330513
    • SCHEMBL1828850
    • A26454
    • DB-029381
    • MDL: MFCD09264588
    • Inchi: 1S/C9H6N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-6H
    • InChI Key: NYHHIPIPUVLUFF-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC2C=CN=CC=2C=1)=O

Computed Properties

  • Exact Mass: 174.04300
  • Monoisotopic Mass: 174.042927438g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 202
  • 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: 2.1
  • Topological Polar Surface Area: 58.7?2

Experimental Properties

  • Density: 1.354
  • Boiling Point: 353.325°C at 760 mmHg
  • Flash Point: 167.485°C
  • Refractive Index: 1.682
  • PSA: 58.71000
  • LogP: 2.66620

7-Nitroisoquinoline Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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7-Nitroisoquinoline Production Method

7-Nitroisoquinoline Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:13058-73-6)7-Nitroisoquinoline
Order Number:A26454
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:02
Price ($):536.0

Additional information on 7-Nitroisoquinoline

7-Nitroisoquinoline (CAS No. 13058-73-6): A Comprehensive Overview

7-Nitroisoquinoline, a heterocyclic aromatic compound with the CAS registry number 13058-73-6, has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science due to its unique structural properties and versatile applications. This compound, belonging to the isoquinoline family, is characterized by a fused bicyclic structure with a nitro group attached at the 7-position, endowing it with distinctive electronic and reactivity characteristics.

The synthesis of 7-nitroisoquinoline has been extensively studied, with researchers employing various methodologies to optimize its preparation. Recent advancements have focused on green chemistry approaches, such as microwave-assisted synthesis and catalytic systems, to enhance yield and reduce environmental impact. These methods not only streamline the production process but also align with the growing demand for sustainable chemical practices in the modern era.

One of the most notable applications of 7-nitroisoquinoline lies in its role as a building block in drug discovery. Its ability to act as a scaffold for constructing bioactive molecules has made it invaluable in medicinal chemistry. For instance, studies have demonstrated its potential as an anti-inflammatory agent, where its nitro group plays a pivotal role in modulating biological activity. Additionally, research into its anti-cancer properties has revealed promising results, particularly in targeting specific pathways involved in tumor progression.

In the realm of materials science, 7-nitroisoquinoline has found applications in the development of advanced materials such as coordination polymers and metal-organic frameworks (MOFs). Its nitrogen-rich structure facilitates strong coordination interactions with metal ions, making it a suitable candidate for constructing porous materials with tailored properties. Recent breakthroughs have highlighted its use in gas storage and sensing technologies, underscoring its potential in addressing contemporary challenges in energy storage and environmental monitoring.

The electronic properties of 7-nitroisoquinoline have also been leveraged in optoelectronic devices. Its conjugated π-system enables efficient charge transport, making it a candidate for applications in organic light-emitting diodes (OLEDs) and photovoltaic cells. Researchers are actively exploring ways to modify its structure to further enhance its electronic performance, paving the way for next-generation electronic devices.

From an analytical standpoint, 7-nitroisoquinoline serves as a valuable tool in spectroscopic studies due to its distinct UV-vis absorption characteristics. Its ability to act as a fluorescent probe has been exploited in bioimaging applications, where it can selectively bind to specific biomolecules under physiological conditions.

In conclusion, 7-nitroisoquinoline (CAS No. 13058-73-6) stands as a testament to the ingenuity of modern chemistry, offering diverse applications across multiple disciplines. As research continues to uncover new facets of its potential, this compound is poised to play an increasingly significant role in advancing scientific and technological frontiers.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:13058-73-6)7-Nitroisoquinoline
A26454
Purity:99%
Quantity:5g
Price ($):536.0
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