Cas no 90272-84-7 (2-Chloro-7-methylquinoxaline)

2-Chloro-7-methylquinoxaline is a heterocyclic compound featuring a quinoxaline core substituted with a chlorine atom at the 2-position and a methyl group at the 7-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its electron-deficient quinoxaline backbone enhances its utility in cross-coupling reactions and nucleophilic substitutions. The chloro group offers a versatile handle for metal-catalyzed transformations, while the methyl group can influence steric and electronic properties. The compound is characterized by high purity and stability, ensuring consistent performance in research and industrial applications. Its synthetic flexibility makes it a preferred choice for developing bioactive molecules and advanced materials.
2-Chloro-7-methylquinoxaline structure
2-Chloro-7-methylquinoxaline structure
Product Name:2-Chloro-7-methylquinoxaline
CAS No:90272-84-7
MF:C9H7ClN2
MW:178.618280649185
MDL:MFCD11846473
CID:798185
Update Time:2025-06-12

2-Chloro-7-methylquinoxaline Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-7-methyl-Quinoxaline
    • 2-CHLORO-7-METHYLQUINOXALINE
    • Quinoxaline,2-chloro-7-methyl-
    • 2-Chlor-7-methyl-chinoxalin
    • Quinoxaline,2-chloro-7-methyl
    • Quinoxaline, 2-chloro-7-methyl-
    • XLTMISOVULFCFD-UHFFFAOYSA-N
    • FCH1181602
    • AX8208169
    • ST2409916
    • W9295
    • AMY32218
    • 2-Chloro-7-methylquinoxaline
    • MDL: MFCD11846473
    • Inchi: 1S/C9H7ClN2/c1-6-2-3-7-8(4-6)12-9(10)5-11-7/h2-5H,1H3
    • InChI Key: XLTMISOVULFCFD-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C2C=CC(C)=CC2=N1

Computed Properties

  • Exact Mass: 178.03000
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 163
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6
  • Topological Polar Surface Area: 25.8

Experimental Properties

  • PSA: 25.78000
  • LogP: 2.59160

2-Chloro-7-methylquinoxaline Security Information

2-Chloro-7-methylquinoxaline Pricemore >>

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2-Chloro-7-methylquinoxaline Production Method

Additional information on 2-Chloro-7-methylquinoxaline

Comprehensive Overview of 2-Chloro-7-methylquinoxaline (CAS No. 90272-84-7): Properties, Applications, and Industry Insights

2-Chloro-7-methylquinoxaline (CAS No. 90272-84-7) is a heterocyclic organic compound with a molecular formula of C9H7ClN2. This compound belongs to the quinoxaline derivatives family, which are widely studied for their diverse chemical and biological properties. The presence of a chloro group at the 2-position and a methyl group at the 7-position makes this molecule a versatile intermediate in pharmaceutical and agrochemical research. Its unique structure has attracted significant attention in recent years, particularly in the development of small-molecule inhibitors and fluorescent probes.

In the context of current research trends, 2-Chloro-7-methylquinoxaline is often discussed alongside topics like drug discovery, medicinal chemistry, and material science. Scientists and industry professionals frequently search for information on its synthesis methods, reactivity, and potential biological activities. Recent studies have explored its role in modulating enzyme interactions, particularly in the design of kinase inhibitors, which are pivotal in cancer therapeutics. Additionally, its photophysical properties make it a candidate for applications in organic electronics and sensor technologies.

The compound's physicochemical properties are critical for its applications. 2-Chloro-7-methylquinoxaline typically appears as a light-yellow to white crystalline solid with a melting point ranging between 120-125°C. Its solubility profile—moderate in organic solvents like dichloromethane and ethanol but low in water—makes it suitable for reactions under anhydrous conditions. Analytical techniques such as HPLC, NMR, and mass spectrometry are commonly employed for its characterization, ensuring high purity for research and industrial use.

From an industrial perspective, 2-Chloro-7-methylquinoxaline is valued as a building block in the synthesis of more complex molecules. For example, it serves as a precursor for quinoxaline-based ligands used in catalysis and as a scaffold for bioactive compounds. The agrochemical sector has also shown interest in derivatives of this compound for developing crop protection agents, leveraging its structural motifs to enhance efficacy and selectivity.

Environmental and safety considerations are increasingly prominent in discussions about 2-Chloro-7-methylquinoxaline. Researchers emphasize the importance of green chemistry principles in its synthesis, such as optimizing reaction yields to minimize waste. While the compound is not classified as hazardous under standard regulations, proper handling protocols—including the use of personal protective equipment (PPE)—are recommended to ensure workplace safety.

Looking ahead, the demand for 2-Chloro-7-methylquinoxaline is expected to grow, driven by advancements in precision medicine and sustainable agriculture. Innovations in catalytic synthesis and computational chemistry are likely to further expand its applications, making it a compound of enduring relevance in both academic and industrial settings.

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