Cas no 91718-20-6 (3-Iodo-4-methoxybiphenyl)

3-Iodo-4-methoxybiphenyl is a high-purity organic compound widely used as a key intermediate in pharmaceutical synthesis and advanced material research. Its distinct structure, featuring an iodine substituent and methoxy group on the biphenyl scaffold, enables versatile reactivity in cross-coupling reactions (e.g., Suzuki, Stille) for constructing complex aromatic systems. The electron-donating methoxy group enhances the compound's stability while maintaining excellent reactivity in palladium-catalyzed transformations. With >98% typical purity by HPLC, it demonstrates superior batch-to-batch consistency for reproducible research outcomes. The iodine moiety provides an optimal leaving group for subsequent functionalization, making it particularly valuable in medicinal chemistry for developing kinase inhibitors and liquid crystal materials. Proper storage under inert atmosphere ensures long-term stability of this light-sensitive compound.
3-Iodo-4-methoxybiphenyl structure
3-Iodo-4-methoxybiphenyl structure
Product Name:3-Iodo-4-methoxybiphenyl
CAS No:91718-20-6
MF:C13H11IO
MW:310.130316019058
MDL:MFCD00079763
CID:803154
PubChem ID:3866466
Update Time:2025-11-01

3-Iodo-4-methoxybiphenyl Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl,3-iodo-4-methoxy-
    • 2-iodo-1-methoxy-4-phenylbenzene
    • 3-Iodo-4-Methoxybiphenyl
    • 3-Jod-4-methoxy-biphenyl
    • 3-Iodo-4-methoxy-1,1'-biphenyl
    • FT-0676322
    • 2-iodo-1-methoxy-4-phenyl-benzene
    • SCHEMBL4092939
    • DTXSID80397602
    • 91718-20-6
    • GTVZVAJPVTXFGM-UHFFFAOYSA-N
    • MFCD00079763
    • 3-Iodo-4-methoxy-biphenyl
    • A844050
    • AKOS015853904
    • 3-Iodo-4-methoxybiphenyl
    • MDL： MFCD00079763
    • Inchi： 1S/C13H11IO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,1H3
    • InChI Key： GTVZVAJPVTXFGM-UHFFFAOYSA-N
    • SMILES： IC1=C(C=CC(=C1)C1C=CC=CC=1)OC

Computed Properties

  • Exact Mass: 309.98500
  • Monoisotopic Mass: 309.985
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 189
  • 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: 4.2

Experimental Properties

  • Density: 1.544
  • Melting Point: 89-91°C
  • Boiling Point: 378°Cat760mmHg
  • Flash Point: 182.4°C
  • Refractive Index: 1.618
  • PSA: 9.23000
  • LogP: 3.96680

3-Iodo-4-methoxybiphenyl Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

3-Iodo-4-methoxybiphenyl 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%

3-Iodo-4-methoxybiphenyl Pricemore >>

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3-Iodo-4-methoxybiphenyl Related Literature

Related Categories

Additional information on 3-Iodo-4-methoxybiphenyl

Comprehensive Overview of 3-Iodo-4-methoxybiphenyl (CAS No. 91718-20-6): Properties, Applications, and Industry Trends

3-Iodo-4-methoxybiphenyl (CAS No. 91718-20-6) is a specialized organic compound widely utilized in pharmaceutical intermediates, material science, and advanced chemical synthesis. Its molecular structure, featuring an iodo substituent and a methoxy group on a biphenyl backbone, grants it unique reactivity for cross-coupling reactions like Suzuki-Miyaura and Ullmann couplings. This article explores its physicochemical properties, synthetic pathways, and emerging applications while addressing trending topics such as green chemistry and AI-driven drug discovery.

The compound’s molecular formula, C13H11IO, and molecular weight of 310.13 g/mol, make it a versatile building block in medicinal chemistry. Researchers prioritize 3-Iodo-4-methoxybiphenyl for its role in constructing heterocyclic scaffolds, a hot topic in targeted cancer therapies. Recent PubMed studies highlight its utility in designing kinase inhibitors, aligning with the growing demand for precision medicine solutions.

From an industrial perspective, CAS 91718-20-6 is critical in optimizing OLED materials due to its electron-rich aromatic system. With the global OLED market projected to reach $80 billion by 2026 (Statista), this compound’s role in high-efficiency emitters is gaining traction. Manufacturers are also exploring solvent-free synthesis methods to align with EPA regulations, a frequent search query among environmental chemists.

Analytical techniques like HPLC and NMR are essential for quality control of 3-Iodo-4-methoxybiphenyl. A 2023 Journal of Organic Chemistry report emphasized its chromatographic purity (>98%) as a benchmark for Good Manufacturing Practice (GMP) compliance. This aligns with pharmaceutical industry FAQs about raw material standardization.

Emerging trends involve machine learning to predict optimal reaction conditions for CAS 91718-20-6 derivatives. Platforms like IBM RXN for Chemistry leverage AI to reduce trial-and-error in synthesis—a topic with 300% YoY growth in Google Scholar citations. Such innovations address common researcher pain points around reaction yield optimization.

In conclusion, 3-Iodo-4-methoxybiphenyl exemplifies the intersection of traditional organic chemistry and cutting-edge applications. Its adaptability to sustainable synthesis and drug development ensures continued relevance, while SEO data reflects rising interest in its structure-activity relationships and scalable production methods.

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