Cas no 886762-71-6 (1-Fluoro-3-iodo-2-nitrobenzene)

1-Fluoro-3-iodo-2-nitrobenzene structure
886762-71-6 structure
Product Name:1-Fluoro-3-iodo-2-nitrobenzene
CAS No:886762-71-6
MF:C6H3FINO2
MW:266.996397256851
MDL:MFCD07368790
CID:1029571
PubChem ID:2783155
Update Time:2025-07-23

1-Fluoro-3-iodo-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Fluoro-3-iodo-2-nitrobenzene
    • 2-Fluoro-6-iodonitrobenzene
    • PC9920
    • FCH1322580
    • AX8208276
    • 2-Fluoro-6-iodonitrobenzene98%
    • 3-Iodo-2-nitrofluorobenzene
    • Benzene, 1-fluoro-3-iodo-2-nitro-
    • 1-Fluoro-3-iodo-2-nitrobenzene (ACI)
    • 886762-71-6
    • EN300-7386140
    • DS-16686
    • AKOS016846008
    • MFCD07368790
    • AB92261
    • CS-0041298
    • SY025887
    • 1-fluoro-3-iodo-2-nitro-benzene
    • DB-347044
    • DTXSID30382467
    • SCHEMBL1161245
    • MDL: MFCD07368790
    • Inchi: 1S/C6H3FINO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
    • InChI Key: SKOBGJNQMJCUOF-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(I)=CC=CC=1F)=O

Computed Properties

  • Exact Mass: 266.91900
  • Monoisotopic Mass: 266.91925g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 161
  • 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: 45.8
  • XLogP3: 2.5

Experimental Properties

  • Boiling Point: 287.4±25.0℃ at 760mmHg
  • PSA: 45.82000
  • LogP: 2.86170

1-Fluoro-3-iodo-2-nitrobenzene Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Additional information on 1-Fluoro-3-iodo-2-nitrobenzene

1-Fluoro-3-iodo-2-nitrobenzene (CAS No. 886762-71-6): A Versatile Intermediate in Organic Synthesis

1-Fluoro-3-iodo-2-nitrobenzene (CAS No. 886762-71-6) is a highly specialized aromatic compound that has garnered significant attention in the field of organic chemistry due to its unique structural properties and broad applicability. This compound, characterized by the presence of fluorine, iodine, and a nitro group on a benzene ring, serves as a critical building block in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its molecular formula, C6H3FINO2, reflects its distinct reactivity, making it a valuable intermediate for cross-coupling reactions, nucleophilic substitutions, and other transformative processes.

The growing interest in 1-Fluoro-3-iodo-2-nitrobenzene is partly driven by the surge in demand for fluorinated compounds in drug discovery. Fluorine's ability to enhance metabolic stability and bioavailability has made it a cornerstone in modern medicinal chemistry. Researchers frequently search for terms like "fluorinated benzene derivatives" or "iodo-nitrobenzene applications", highlighting the compound's relevance in cutting-edge research. Additionally, its role in palladium-catalyzed reactions, such as Suzuki-Miyaura or Sonogashira couplings, aligns with the trend toward sustainable and efficient synthetic methodologies.

From a structural perspective, the electron-withdrawing nitro group at the 2-position and the iodine substituent at the 3-position create a highly polarized framework, facilitating regioselective functionalization. This property is particularly valuable in the design of heterocyclic compounds, a topic frequently explored in academic and industrial settings. Searches for "nitrobenzene derivatives in catalysis" or "fluoro-iodo benzene synthesis" underscore the compound's utility in complex molecular constructions.

In the context of environmental and safety considerations, 1-Fluoro-3-iodo-2-nitrobenzene is handled under standard laboratory protocols, with emphasis on proper ventilation and personal protective equipment (PPE). While not classified as hazardous under typical conditions, its reactivity necessitates careful storage away from reducing agents and strong bases. This aligns with the broader industry focus on green chemistry principles and sustainable chemical practices, which are frequently searched topics among professionals.

The compound's versatility extends to material science, where its incorporation into liquid crystals or organic semiconductors is actively investigated. Queries like "nitrobenzene in optoelectronics" or "fluorinated aromatics for OLEDs" reflect this interdisciplinary appeal. As the demand for high-performance materials grows, 886762-71-6 is poised to remain a key player in innovation pipelines.

In summary, 1-Fluoro-3-iodo-2-nitrobenzene (CAS No. 886762-71-6) exemplifies the intersection of synthetic utility and structural ingenuity. Its applications span pharmaceuticals, agrochemicals, and advanced materials, resonating with contemporary research trends. By addressing common search queries and emphasizing its role in cross-coupling chemistry and fluorine-based design, this overview underscores its enduring significance in organic synthesis.

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