Cas no 1026989-94-5 (2,3-Difluoro-4-iodoaniline)

2,3-Difluoro-4-iodoaniline is a fluorinated and iodinated aniline derivative with significant utility in synthetic organic chemistry. The presence of both fluorine and iodine substituents on the aromatic ring enhances its reactivity, making it a valuable intermediate for cross-coupling reactions, such as Suzuki or Sonogashira couplings, as well as nucleophilic aromatic substitutions. The electron-withdrawing effects of the fluorine atoms further modulate the reactivity of the amino group, enabling selective functionalization. This compound is particularly useful in pharmaceutical and agrochemical research for constructing complex heterocycles or bioactive molecules. Its well-defined structure and stability under standard conditions ensure consistent performance in synthetic applications.
2,3-Difluoro-4-iodoaniline structure
2,3-Difluoro-4-iodoaniline structure
Product Name:2,3-Difluoro-4-iodoaniline
CAS No:1026989-94-5
MF:C6H4F2IN
MW:255.003940582275
MDL:MFCD21602052
CID:2853090
PubChem ID:46245401
Update Time:2025-05-22

2,3-Difluoro-4-iodoaniline Chemical and Physical Properties

Names and Identifiers

    • 2,3-Difluoro-4-iodoaniline
    • MFCD21602052
    • BRB98994
    • CS-0313327
    • AKOS026671435
    • SB81496
    • DTXSID70673189
    • SCHEMBL219898
    • 1026989-94-5
    • AS-813/43501994
    • D80047
    • PS-10200
    • MDL: MFCD21602052
    • Inchi: 1S/C6H4F2IN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2
    • InChI Key: UPFNMZVCKBKXJD-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=C(C=1F)F)N

Computed Properties

  • Exact Mass: 254.93565g/mol
  • Monoisotopic Mass: 254.93565g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 26?2

2,3-Difluoro-4-iodoaniline Pricemore >>

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abcr
AB531320-1 g
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abcr
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2,3-Difluoro-4-iodoaniline Related Literature

Additional information on 2,3-Difluoro-4-iodoaniline

2,3-Difluoro-4-iodoaniline (CAS No. 1026989-94-5): Properties, Applications, and Market Insights

2,3-Difluoro-4-iodoaniline (CAS No. 1026989-94-5) is a specialized fluoro-iodo aniline derivative with significant potential in pharmaceutical and agrochemical research. This compound belongs to the class of halogenated anilines, which are widely used as intermediates in organic synthesis. The presence of both fluorine and iodine atoms on the aromatic ring enhances its reactivity, making it a valuable building block for complex molecules.

One of the most searched questions about 2,3-Difluoro-4-iodoaniline is its role in drug discovery. Researchers are particularly interested in how the fluoro and iodo substituents influence the biological activity of derived compounds. Recent studies highlight its utility in developing kinase inhibitors and antimicrobial agents, aligning with the growing demand for novel therapeutics. The compound's unique electronic properties due to halogen interactions also make it a candidate for material science applications, such as organic semiconductors.

The synthesis of 2,3-Difluoro-4-iodoaniline typically involves halogenation reactions of aniline derivatives. A common method includes the Sandmeyer reaction, where a diazonium intermediate is treated with potassium iodide to introduce the iodine atom. The fluorine atoms are usually incorporated via electrophilic aromatic substitution or Balz-Schiemann reactions. These synthetic routes are frequently discussed in academic forums, reflecting the compound's relevance in advanced organic chemistry.

Market trends indicate a rising demand for 2,3-Difluoro-4-iodoaniline suppliers, driven by its applications in pharmaceutical intermediates and agrochemical formulations. Companies specializing in custom halogenated compounds are increasingly listing this product, catering to R&D labs and industrial clients. SEO data shows that searches for high-purity 2,3-Difluoro-4-iodoaniline have surged by 25% year-over-year, underscoring its commercial importance.

From a regulatory perspective, 2,3-Difluoro-4-iodoaniline is not classified as a hazardous substance under major chemical inventories like REACH or TSCA. However, proper handling protocols are recommended due to its potential reactivity. Environmental concerns related to iodinated compounds have also sparked interest in green chemistry alternatives, a topic gaining traction in sustainability-focused research.

Analytical characterization of 2,3-Difluoro-4-iodoaniline typically involves NMR spectroscopy (particularly 19F NMR for fluorine detection) and mass spectrometry. These techniques are essential for quality control, especially for buyers seeking CAS 1026989-94-5 certified material. The compound's melting point (reported between 85-88°C) and solubility profile in organic solvents are frequently cited in technical datasheets.

Future research directions for 2,3-Difluoro-4-iodoaniline derivatives may explore their use in PET radiopharmaceuticals (leveraging the iodine atom for isotopic labeling) or as precursors for liquid crystal materials. The compound's versatility continues to attract attention from both academia and industry, positioning it as a noteworthy chemical in specialty markets.

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