Cas no 63365-23-1 (2-Amino-6-nitrobenzonitrile)

2-Amino-6-nitrobenzonitrile is a versatile organic compound primarily used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and dyes. Its molecular structure, featuring both amino and nitro functional groups on a benzonitrile backbone, enables selective reactivity in various chemical transformations, such as reduction, cyclization, and substitution reactions. The compound's high purity and stability make it suitable for precision applications in research and industrial processes. Its utility in heterocyclic chemistry, particularly in the preparation of quinazoline and benzimidazole derivatives, underscores its importance in medicinal chemistry. Proper handling is advised due to its potential sensitivity to heat and light.
2-Amino-6-nitrobenzonitrile structure
2-Amino-6-nitrobenzonitrile structure
Product Name:2-Amino-6-nitrobenzonitrile
CAS No:63365-23-1
MF:C7H5N3O2
MW:163.133500814438
MDL:MFCD08236739
CID:959948
PubChem ID:12715729
Update Time:2025-06-10

2-Amino-6-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-6-nitrobenzonitrile
    • 2-amino-6-nitro-benzonitrile
    • 2-CYANO-3-NITROANILINE
    • Benzonitrile, 2-amino-6-nitro-
    • FCH858855
    • AB43894
    • AX8070678
    • AM20040917
    • 63365-23-1
    • DS-10942
    • SCHEMBL2413571
    • DTXSID80507805
    • A914854
    • AKOS006284750
    • CS-0157260
    • MFCD08236739
    • MDL: MFCD08236739
    • Inchi: 1S/C7H5N3O2/c8-4-5-6(9)2-1-3-7(5)10(11)12/h1-3H,9H2
    • InChI Key: FEEQTCIVZQOKMJ-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=C(C=1C#N)N)=O

Computed Properties

  • Exact Mass: 163.03800
  • Monoisotopic Mass: 163.038176411g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 227
  • 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: 95.6

Experimental Properties

  • Boiling Point: 410°C at 760 mmHg
  • PSA: 95.63000
  • LogP: 2.15308

2-Amino-6-nitrobenzonitrile Security Information

2-Amino-6-nitrobenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Additional information on 2-Amino-6-nitrobenzonitrile

Comprehensive Overview of 2-Amino-6-nitrobenzonitrile (CAS No. 63365-23-1): Properties, Applications, and Industry Insights

2-Amino-6-nitrobenzonitrile (CAS No. 63365-23-1) is a specialized organic compound widely recognized for its unique chemical structure and versatile applications in pharmaceuticals, agrochemicals, and material science. This nitrile derivative, featuring both amino and nitro functional groups, has garnered significant attention due to its role as a key intermediate in synthesizing high-value compounds. Researchers and industries frequently search for terms like "2-Amino-6-nitrobenzonitrile synthesis", "CAS 63365-23-1 uses", and "nitrobenzonitrile derivatives", reflecting its relevance in modern chemistry.

The molecular formula of 2-Amino-6-nitrobenzonitrile is C7H5N3O2, with a molecular weight of 163.14 g/mol. Its crystalline form and solubility profile make it suitable for controlled reactions in organic synthesis. Recent trends highlight its utility in developing photoactive materials and biocompatible polymers, aligning with the growing demand for sustainable and functional materials. Searches for "green chemistry applications of nitrobenzonitriles" and "2-Amino-6-nitrobenzonitrile in drug discovery" underscore its interdisciplinary importance.

In pharmaceutical research, 2-Amino-6-nitrobenzonitrile serves as a precursor for heterocyclic compounds, such as quinazolines and benzimidazoles, which are pivotal in designing antimicrobial and anticancer agents. The compound’s electron-withdrawing nitro group enhances reactivity in nucleophilic substitution reactions, a feature often explored in peer-reviewed studies. Queries like "mechanism of 2-Amino-6-nitrobenzonitrile in medicinal chemistry" and "CAS 63365-23-1 safety data" are common among professionals seeking detailed technical insights.

From an industrial perspective, 2-Amino-6-nitrobenzonitrile is employed in the production of dyes, coatings, and advanced polymers. Its compatibility with cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig, makes it valuable for creating conjugated systems in optoelectronic devices. The surge in searches for "nitrobenzonitrile-based OLED materials" and "63365-23-1 supplier" reflects its commercial demand. Regulatory compliance and handling guidelines are also frequently discussed, emphasizing the need for proper storage and disposal protocols.

Environmental and safety considerations are critical when working with 2-Amino-6-nitrobenzonitrile. While not classified as hazardous under standard regulations, its nitroaromatic nature necessitates precautions during handling. Analytical techniques like HPLC, GC-MS, and FTIR are routinely used to characterize its purity and stability. Researchers often inquire about "degradation pathways of 2-Amino-6-nitrobenzonitrile" and "eco-friendly synthesis methods", highlighting the shift toward sustainable practices.

In summary, 2-Amino-6-nitrobenzonitrile (CAS No. 63365-23-1) is a multifaceted compound with broad applications across scientific and industrial domains. Its structural features and reactivity continue to inspire innovations in material science, pharmaceuticals, and green chemistry. As interest grows in high-performance materials and targeted drug delivery systems, this compound remains a subject of ongoing research and development.

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