Cas no 1379322-93-6 (1-Chloro-5-iodoisoquinoline)

1-Chloro-5-iodoisoquinoline is a halogenated isoquinoline derivative with significant utility in synthetic organic chemistry and pharmaceutical research. Its bifunctional structure, featuring both chloro and iodo substituents, enables selective cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig amination, facilitating the synthesis of complex heterocyclic scaffolds. The electron-withdrawing nature of the halogens enhances reactivity in nucleophilic aromatic substitution, while the iodo group's steric accessibility improves regioselectivity in metal-catalyzed transformations. This compound serves as a versatile intermediate for constructing pharmacologically active molecules, particularly in the development of kinase inhibitors and antimicrobial agents. Its stability under standard storage conditions ensures reliable handling in laboratory settings.
1-Chloro-5-iodoisoquinoline structure
1-Chloro-5-iodoisoquinoline structure
Product Name:1-Chloro-5-iodoisoquinoline
CAS No:1379322-93-6
MF:C9H5ClIN
MW:289.500173330307
MDL:MFCD16877647
CID:4773047
PubChem ID:92133522
Update Time:2026-02-26

1-Chloro-5-iodoisoquinoline Chemical and Physical Properties

Names and Identifiers

    • 1-Chloro-5-iodoisoquinoline
    • AK503110
    • 1379322-93-6
    • CS-0155703
    • D71005
    • AKOS027441313
    • MFCD16877647
    • SY365160
    • BS-15321
    • MDL: MFCD16877647
    • Inchi: 1S/C9H5ClIN/c10-9-7-2-1-3-8(11)6(7)4-5-12-9/h1-5H
    • InChI Key: FWTSURVEHDDGAU-UHFFFAOYSA-N
    • SMILES: IC1=CC=CC2C(=NC=CC=21)Cl

Computed Properties

  • Exact Mass: 288.91552g/mol
  • Monoisotopic Mass: 288.91552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 165
  • 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: 3.7
  • Topological Polar Surface Area: 12.9

1-Chloro-5-iodoisoquinoline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
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1-Chloro-5-iodoisoquinoline
1379322-93-6 97%
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1-Chloro-5-iodoisoquinoline; .
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€269.60 2023-04-14
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Chemenu
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SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
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Additional information on 1-Chloro-5-iodoisoquinoline

Comprehensive Overview of 1-Chloro-5-iodoisoquinoline (CAS No. 1379322-93-6): Properties, Applications, and Industry Insights

1-Chloro-5-iodoisoquinoline (CAS No. 1379322-93-6) is a halogenated isoquinoline derivative that has garnered significant attention in pharmaceutical and materials science research. This compound, characterized by its unique chloro and iodo functional groups, serves as a versatile intermediate in organic synthesis. Its molecular structure enables diverse reactivity, making it valuable for constructing complex heterocyclic frameworks. Researchers frequently explore its potential in drug discovery, particularly for targeting kinase inhibitors and cancer therapeutics, aligning with current trends in precision medicine.

The growing demand for halogenated isoquinolines like 1-Chloro-5-iodoisoquinoline reflects broader industry shifts toward high-value building blocks in medicinal chemistry. Recent studies highlight its role in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal for creating biologically active compounds. This aligns with frequent search queries like "isoquinoline derivatives in drug development" or "halogenated heterocycles applications," underscoring its relevance in modern synthetic workflows.

From a physicochemical perspective, 1-Chloro-5-iodoisoquinoline exhibits stability under standard laboratory conditions, though proper storage in amber vials is recommended due to light sensitivity. Analytical techniques like HPLC and NMR spectroscopy are commonly employed for purity verification, addressing quality concerns frequently raised in academic and industrial forums. The compound’s solubility profile—moderate in polar aprotic solvents—makes it suitable for diverse reaction environments, a topic often discussed in process chemistry optimization threads.

Innovative applications of CAS 1379322-93-6 extend to materials science, where its halogen atoms facilitate supramolecular interactions in organic electronics. This resonates with trending searches on "organic semiconductors" and "small-molecule optoelectronic materials." Furthermore, its use in metal-organic frameworks (MOFs) design has been explored, tapping into the surge of interest in porous materials for gas storage and catalysis.

Regulatory and safety assessments emphasize standard laboratory precautions for handling 1-Chloro-5-iodoisoquinoline, though it remains non-classified under stringent hazard categories. This positions it favorably compared to heavily regulated alternatives, a key consideration for researchers querying "safe halogenated reagents." Suppliers typically provide detailed technical data sheets (TDS) and certificates of analysis (CoA), addressing the procurement-focused questions prevalent in specialty chemical forums.

Future research directions for 1379322-93-6 may explore its enantioselective transformations or incorporation into PROTACs (proteolysis-targeting chimeras), a hot topic in degradation therapeutics. Such advancements would align with the compound’s evolving role in cutting-edge biomedical applications, while maintaining compliance with global chemical regulations and sustainability goals—an aspect increasingly prioritized in researcher inquiries about "green chemistry compatible intermediates."

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