Cas no 143306-27-8 (2-Fluoro-6-nitrobenzonitrile)

2-Fluoro-6-nitrobenzonitrile is a fluorinated aromatic nitrile compound with the molecular formula C?H?FN?O?. It features a nitro group and a fluorine substituent on the benzene ring, which enhance its reactivity in various organic synthesis applications. This compound is particularly valuable as an intermediate in pharmaceutical and agrochemical research, where its electron-withdrawing groups facilitate nucleophilic substitution and coupling reactions. Its crystalline solid form and high purity make it suitable for precise synthetic workflows. The presence of both fluorine and nitro groups also allows for selective functionalization, enabling the development of complex molecular architectures. Proper handling is advised due to its potential sensitivity to heat and light.
2-Fluoro-6-nitrobenzonitrile structure
2-Fluoro-6-nitrobenzonitrile structure
Product Name:2-Fluoro-6-nitrobenzonitrile
CAS No:143306-27-8
MF:C7H3FN2O2
MW:166.10932469368
MDL:MFCD08063904
CID:98491
PubChem ID:10442043
Update Time:2025-10-29

2-Fluoro-6-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-FLUORO-6-NITROBENZONITRILE
    • Benzonitrile, 2-fluoro-6-nitro-
    • 2-fluoro-6-nitro-benzonitrile
    • PubChem4793
    • WT151
    • FCH858522
    • 2-CYANO-3-FLUORONITROBENZENE
    • CM13101
    • AS05857
    • RP22861
    • LS10258
    • AB0022291
    • AX8004095
    • ST2404418
    • W3120
    • TL80074127
    • 143
    • A21182
    • DS-12142
    • FT-0602589
    • DTXSID80439894
    • SY035413
    • 143306-27-8
    • MFCD08063904
    • J-509501
    • SCHEMBL1850626
    • CS-W006984
    • AKOS006286225
    • DB-005246
    • 2-Fluoro-6-nitrobenzonitrile
    • MDL: MFCD08063904
    • Inchi: 1S/C7H3FN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H
    • InChI Key: DOHMTOMVCPKOEE-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1C#N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 166.01800
  • Monoisotopic Mass: 166.01785550g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 229
  • 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
  • Topological Polar Surface Area: 69.6
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.41
  • Melting Point: No data available
  • Boiling Point: 302.9℃ at 760 mmHg
  • Flash Point: 137.0±23.7 °C
  • Refractive Index: 1.553
  • PSA: 69.61000
  • LogP: 2.12878
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-Fluoro-6-nitrobenzonitrile Security Information

2-Fluoro-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%

2-Fluoro-6-nitrobenzonitrile Pricemore >>

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Additional information on 2-Fluoro-6-nitrobenzonitrile

2-Fluoro-6-nitrobenzonitrile: A Comprehensive Overview

2-Fluoro-6-nitrobenzonitrile, identified by the CAS number 143306-27-8, is a chemically synthesized compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which includes a fluorine atom at the 2-position and a nitro group at the 6-position of a benzonitrile framework. The combination of these substituents imparts distinct chemical properties, making it a valuable molecule for various applications.

The synthesis of 2-Fluoro-6-nitrobenzonitrile involves a series of well-established organic reactions, including nucleophilic substitution and nitration. Recent advancements in synthetic methodologies have enabled the efficient and scalable production of this compound, ensuring its availability for research and industrial purposes. The compound's stability under various conditions has been thoroughly investigated, with studies indicating its resistance to thermal degradation and moderate reactivity towards nucleophilic attack.

In terms of chemical properties, 2-Fluoro-6-nitrobenzonitrile exhibits a high melting point, which is attributed to the strong intermolecular forces arising from the electron-withdrawing groups present in its structure. The compound's solubility in common organic solvents has been optimized through modifications in the synthesis process, enhancing its utility in solution-based reactions. Additionally, the compound's UV-vis spectrum has been analyzed, revealing absorption bands that are indicative of its electronic structure.

The application of 2-Fluoro-6-nitrobenzonitrile spans across multiple disciplines. In pharmacology, it has been utilized as a precursor for the development of bioactive compounds with potential therapeutic applications. Recent studies have highlighted its role in the synthesis of novel anti-inflammatory agents, where its structural features contribute to enhanced bioavailability and efficacy. Furthermore, in materials science, this compound has been explored as a building block for advanced polymer systems, leveraging its ability to form stable covalent bonds.

Recent research has delved into the environmental impact of 2-Fluoro-6-nitrobenzonitrile, with studies assessing its biodegradability and toxicity profiles. Findings suggest that under controlled conditions, the compound undergoes gradual degradation via microbial action, minimizing its environmental footprint. However, further investigations are warranted to fully understand its long-term ecological effects.

In conclusion, 2-Fluoro-6-nitrobenzonitrile, CAS number 143306-27-8, stands as a versatile and intriguing compound with diverse applications across multiple scientific domains. Its unique chemical properties and synthetic accessibility make it an invaluable tool for researchers and industry professionals alike. As ongoing studies continue to uncover new insights into its potential uses and environmental behavior, this compound is poised to play an increasingly significant role in advancing scientific knowledge and technological innovation.

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