Cas no 725715-08-2 (2-Iodo-5-methoxybenzonitrile)

2-Iodo-5-methoxybenzonitrile structure
2-Iodo-5-methoxybenzonitrile structure
Product Name:2-Iodo-5-methoxybenzonitrile
CAS No:725715-08-2
MF:C8H6INO
MW:259.043814182281
MDL:MFCD18905101
CID:1038780
PubChem ID:70701072
Update Time:2025-11-02

2-Iodo-5-methoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Iodo-5-methoxybenzonitrile
    • SCHEMBL14849728
    • 725715-08-2
    • DTXSID70743851
    • A866241
    • MDL: MFCD18905101
    • Inchi: 1S/C8H6INO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3
    • InChI Key: XRPKJMRKCGAGQJ-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=CC=1C#N)OC

Computed Properties

  • Exact Mass: 258.94941g/mol
  • Monoisotopic Mass: 258.94941g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 174
  • 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: 2.3
  • Topological Polar Surface Area: 33?2

2-Iodo-5-methoxybenzonitrile Pricemore >>

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Additional information on 2-Iodo-5-methoxybenzonitrile

Comprehensive Overview of 2-Iodo-5-methoxybenzonitrile (CAS No. 725715-08-2): Properties, Applications, and Industry Insights

2-Iodo-5-methoxybenzonitrile (CAS No. 725715-08-2) is a specialized organic compound widely recognized for its versatile applications in pharmaceutical synthesis, agrochemical research, and material science. This halogenated benzonitrile derivative features a methoxy group and an iodo substituent on its aromatic ring, making it a valuable intermediate in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig reactions. Its molecular formula, C8H6INO, and precise structural configuration contribute to its reactivity and utility in modern organic chemistry.

In recent years, the demand for iodinated aromatic compounds like 2-Iodo-5-methoxybenzonitrile has surged due to their role in developing API intermediates (Active Pharmaceutical Ingredients). Researchers frequently search for "high-purity 2-Iodo-5-methoxybenzonitrile suppliers" or "CAS 725715-08-2 synthetic routes," reflecting its importance in drug discovery. The compound’s electron-withdrawing nitrile group enhances its compatibility with palladium-catalyzed reactions, a topic trending in green chemistry forums.

From an industrial perspective, 725715-08-2 is often discussed alongside sustainable synthesis methods, as manufacturers seek to reduce heavy metal residues in final products. Analytical techniques like HPLC and GC-MS are critical for quality control, addressing common queries such as "how to analyze 2-Iodo-5-methoxybenzonitrile purity." The compound’s stability under inert atmospheres and solubility in organic solvents like DMF or THF further broaden its applicability.

Emerging trends also highlight its potential in OLED materials and liquid crystal displays, where halogenated benzonitriles serve as electron-transport layers. Environmental considerations drive interest in "biodegradable alternatives to halogenated intermediates," though 2-Iodo-5-methoxybenzonitrile remains irreplaceable for precision reactions. Storage recommendations typically emphasize protection from light and moisture, with searches like "long-term storage of CAS 725715-08-2" being prevalent among lab managers.

In summary, 2-Iodo-5-methoxybenzonitrile (CAS No. 725715-08-2) exemplifies the intersection of synthetic efficiency and multidisciplinary utility. Its relevance in pharmaceutical R&D, coupled with evolving applications in advanced materials, ensures its continued prominence in scientific literature and industrial workflows. Future research may explore its derivatives for catalysis or bioimaging probes, aligning with global shifts toward precision chemistry.

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