Cas no 630422-89-8 (1-chloro-7-fluoro-isoquinoline)

1-Chloro-7-fluoro-isoquinoline is a halogenated isoquinoline derivative with significant utility in pharmaceutical and agrochemical research. The presence of both chloro and fluoro substituents enhances its reactivity, making it a versatile intermediate for cross-coupling reactions, nucleophilic substitutions, and other functionalization processes. Its structural framework is particularly valuable in the synthesis of bioactive compounds, including potential drug candidates targeting neurological and antimicrobial applications. The electron-withdrawing effects of the halogens improve stability and selectivity in synthetic pathways. This compound is characterized by high purity and consistent performance, ensuring reliability in complex organic transformations. Proper handling and storage under inert conditions are recommended to maintain its integrity.
1-chloro-7-fluoro-isoquinoline structure
630422-89-8 structure
Product Name:1-chloro-7-fluoro-isoquinoline
CAS No:630422-89-8
MF:C9H5ClFN
MW:181.594104528427
MDL:MFCD16883053
CID:1650635
PubChem ID:22250160
Update Time:2025-10-12

1-chloro-7-fluoro-isoquinoline Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 1-chloro-7-fluoro-
    • 1-Chloro-7-fluoroisoquinoline
    • 1-chloro-7-fluoro-isoquinoline
    • MFCD16883053
    • 630422-89-8
    • AB92172
    • AS-813/43502011
    • EN300-118101
    • F8880-7142
    • DB-238244
    • AKOS017516450
    • AS-41508
    • CS-0138294
    • SCHEMBL1315422
    • DTXSID00623859
    • AMY26020
    • MDL: MFCD16883053
    • Inchi: 1S/C9H5ClFN/c10-9-8-5-7(11)2-1-6(8)3-4-12-9/h1-5H
    • InChI Key: WZJWWTFRSPUCDG-UHFFFAOYSA-N
    • SMILES: ClC1C2C=C(C=CC=2C=CN=1)F

Computed Properties

  • Exact Mass: 181.00955
  • Monoisotopic Mass: 181.0094550g/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: 3.2
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89

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1-chloro-7-fluoro-isoquinoline Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:630422-89-8)1-Chloro-7-fluoroisoquinoline
Order Number:LE8120
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:58
Price ($):discuss personally

Additional information on 1-chloro-7-fluoro-isoquinoline

1-Chloro-7-Fluoro-Isoquinoline: A Comprehensive Overview

1-Chloro-7-fluoro-isoquinoline (CAS No. 630422-89-8) is a heterocyclic aromatic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound belongs to the isoquinoline family, which is a bicyclic structure consisting of a benzene ring fused to a pyridine ring. The substitution pattern of chlorine and fluorine atoms at positions 1 and 7, respectively, imparts unique electronic and steric properties to the molecule, making it a valuable substrate for various applications.

The synthesis of 1-chloro-7-fluoro-isoquinoline involves multi-step processes that often begin with the preparation of isoquinoline derivatives. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and minimizing environmental impact. For instance, researchers have explored the use of transition metal catalysts, such as palladium(II) complexes, to facilitate coupling reactions that yield high-purity 1-chloro-7-fluoro-isoquinoline. These methods not only enhance the scalability of production but also align with the principles of green chemistry.

One of the most promising applications of 1-chloro-7-fluoro-isoquinoline lies in its potential as a building block for drug discovery. Isoquinoline derivatives are known for their diverse biological activities, including anti-inflammatory, antitumor, and antimicrobial properties. Recent studies have demonstrated that 1-chloro-7-fluoro-isoquinoline exhibits selective inhibition against certain kinases involved in cancer cell proliferation. This finding has sparked interest in its use as a lead compound for developing novel anticancer agents.

In addition to its pharmacological applications, 1-chloro-7-fluoro-isoquinoline has shown potential in materials science. Its aromaticity and heteroatom substitution make it a suitable candidate for constructing functional materials, such as organic semiconductors and sensors. Researchers have reported that incorporating 1-chloro-7-fluoro-isoquinoline into polymer frameworks can enhance charge transport properties, paving the way for its use in advanced electronic devices.

The structural versatility of 1-chloro-7-fluoro-isoquinoline also makes it an ideal substrate for further chemical modifications. For example, substitution reactions at the chlorine or fluorine positions can yield derivatives with tailored physicochemical properties. These derivatives have been explored for their roles in catalysis, where they serve as ligands or precursors for homogeneous catalysts in organic transformations.

From an environmental standpoint, understanding the fate and toxicity of 1-chloro-7-fluoro-isoquinoline is crucial for its safe handling and application. Recent ecotoxicological studies have evaluated its impact on aquatic organisms, revealing moderate toxicity levels under specific conditions. These findings underscore the importance of implementing proper waste management practices during its production and use.

In conclusion, 1-chloro-7-fluoro-isoquinoline (CAS No. 630422-89-8) stands out as a versatile compound with multifaceted applications across various scientific disciplines. Its unique chemical structure, coupled with advancements in synthetic methodologies and biological studies, positions it as a key player in drug discovery and materials development. As research continues to uncover new insights into its properties and applications, this compound is poised to make significant contributions to both academic and industrial sectors.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:630422-89-8)1-Chloro-7-fluoroisoquinoline
LE8120
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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