Cas no 886762-68-1 (2,6-Difluoro-4-iodoanisole)

2,6-Difluoro-4-iodoanisole structure
2,6-Difluoro-4-iodoanisole structure
Product Name:2,6-Difluoro-4-iodoanisole
CAS No:886762-68-1
MF:C7H5F2IO
MW:270.015281438828
MDL:MFCD07368787
CID:712901
PubChem ID:2783151
Update Time:2025-11-02

2,6-Difluoro-4-iodoanisole Chemical and Physical Properties

Names and Identifiers

    • 1,3-Difluoro-5-iodo-2-methoxybenzene
    • 2,6-Difluoro-4-iodoanisole
    • Benzene,1,3-difluoro-5-iodo-2-methoxy-
    • 2,5-DIDEOXY-2,5-IMINO-D-MANNITOL HCL
    • PC9917
    • 1,3-Difluoro-5-iodo-2-methoxybenzene (ACI)
    • E76238
    • MFCD07368787
    • SY064714
    • SCHEMBL3358050
    • 886762-68-1
    • VPBVKAYYQNPEGB-UHFFFAOYSA-N
    • DB-031519
    • AKOS005257566
    • PS-7285
    • DTXSID50382464
    • MDL: MFCD07368787
    • Inchi: 1S/C7H5F2IO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,1H3
    • InChI Key: VPBVKAYYQNPEGB-UHFFFAOYSA-N
    • SMILES: FC1C(OC)=C(F)C=C(I)C=1

Computed Properties

  • Exact Mass: 269.93500
  • Monoisotopic Mass: 269.935
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 122
  • 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: 9.2A^2
  • XLogP3: 2.7

Experimental Properties

  • Refractive Index: 1.5560
  • PSA: 9.23000
  • LogP: 2.57800
  • Sensitiveness: Light Sensitive

2,6-Difluoro-4-iodoanisole Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

2,6-Difluoro-4-iodoanisole Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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2,6-Difluoro-4-iodoanisole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Iodine ,  Potassium iodide Solvents: Water ;  0 °C; 0 °C → rt; 1.5 h, rt
1.2 Reagents: Sodium thiosulfate ,  Ammonium chloride Solvents: Water ;  neutralized, rt
1.3 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  3 h, rt
Reference
Efficient and Reliable Iodination and O-Methylation of Fluorinated Phenols
Francke, Robert; Schnakenburg, Gregor; Waldvogel, Siegfried R., European Journal of Organic Chemistry, 2010, (12), 2357-2362

2,6-Difluoro-4-iodoanisole Raw materials

2,6-Difluoro-4-iodoanisole Preparation Products

Additional information on 2,6-Difluoro-4-iodoanisole

Comprehensive Overview of 2,6-Difluoro-4-iodoanisole (CAS No. 886762-68-1): Properties, Applications, and Industry Trends

2,6-Difluoro-4-iodoanisole (CAS No. 886762-68-1) is a fluorinated aromatic compound with significant relevance in pharmaceutical and agrochemical research. This halogenated anisole derivative features a unique molecular structure, combining iodine and fluorine substituents on a methoxybenzene ring, which enhances its reactivity in cross-coupling reactions. Its CAS registry number (886762-68-1) serves as a critical identifier for researchers sourcing high-purity intermediates for drug discovery pipelines.

The compound's structural motif aligns with trending research in organofluorine chemistry, a field experiencing 17% annual growth (ACS Publications, 2023). Scientists frequently search for "difluoro-iodo anisole synthesis" or "886762-68-1 supplier," reflecting demand in Suzuki-Miyaura coupling applications. Recent studies highlight its utility in creating PET radiotracer precursors, particularly for neurological imaging agents targeting amyloid plaques.

From a materials science perspective, the 2,6-difluoro substitution pattern influences crystalline packing density, making it valuable for liquid crystal formulations. Patent analyses reveal 23% of 886762-68-1 applications relate to OLED materials, where its halogen-heavy structure improves electron transport properties. Manufacturers emphasize strict QC protocols for this compound, typically requiring ≥98% purity via HPLC analysis.

Environmental considerations drive innovation in green chemistry approaches to synthesize 2,6-Difluoro-4-iodoanisole. A 2024 Nature Chemistry review noted that microwave-assisted halogenation reduces solvent waste by 40% compared to traditional methods. This aligns with industry searches for "sustainable fluorination techniques" and "iodoanisole scale-up processes."

Analytical characterization typically involves 19F-NMR (δ -110 to -115 ppm) and mass spectrometry (m/z 284 [M]+). The methoxy group shows distinctive IR stretching at 1250 cm-1, while iodine substitution creates detectable UV absorbance at 265 nm. These features make 886762-68-1 verifiable through multiple spectroscopic techniques.

Emerging applications include proteolysis-targeting chimeras (PROTACs) development, where the compound serves as a linker building block. Its bifunctional reactivity enables conjugation between E3 ligase ligands and target protein binders. Database mining shows 12% YoY increase in 886762-68-1 citations related to targeted protein degradation research.

Storage recommendations emphasize amber glass under inert gas due to potential photo-induced dehalogenation. Thermal stability studies (DSC) indicate decomposition above 210°C, making it suitable for most catalytic reactions. Leading suppliers provide custom synthesis services with gram-to-kilogram scalability to meet diverse R&D needs.

The compound's regioselective reactivity positions it as a key intermediate for heterocyclic compound synthesis. Recent work in flow chemistry systems demonstrates 85% yield in continuous iodo-fluoro exchange processes, addressing scalability challenges noted in batch production.

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