Cas no 128520-86-5 (3-Chloro-7-methylbenzo[d]isoxazole)

3-Chloro-7-methylbenzo[d]isoxazole is a heterocyclic aromatic compound featuring a chloro substituent at the 3-position and a methyl group at the 7-position of the benzo[d]isoxazole scaffold. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its halogenated and methylated functional groups enhance its utility in cross-coupling reactions and further derivatization. The compound exhibits stability under standard conditions, facilitating handling and storage. Its well-defined molecular framework is advantageous for applications in medicinal chemistry, particularly in the development of bioactive molecules. High purity grades are available to meet rigorous research and industrial requirements.
3-Chloro-7-methylbenzo[d]isoxazole structure
128520-86-5 structure
Product Name:3-Chloro-7-methylbenzo[d]isoxazole
CAS No:128520-86-5
MF:C8H6ClNO
MW:167.592340946198
MDL:MFCD22556255
CID:103001
PubChem ID:15057448
Update Time:2025-05-19

3-Chloro-7-methylbenzo[d]isoxazole Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-7-methylbenzo[d]isoxazole
    • 1,2-Benzisoxazole,3-chloro-7-methyl-
    • 1,2-Benzisoxazole,3-chloro-7-methyl-(9CI)
    • MFCD22556255
    • SY280809
    • CS-0334567
    • A889012
    • 3-chloro-7-methyl-1,2-benzisoxazole
    • DTXSID10567654
    • 128520-86-5
    • 3-Chloro-7-methyl-1,2-benzoxazole
    • SCHEMBL6987832
    • 3-Chloro-7-methylbenzisoxazole
    • JJDNTIJMCMIVES-UHFFFAOYSA-N
    • DB-267375
    • 1,2-Benzisoxazole, 3-chloro-7-methyl-
    • MDL: MFCD22556255
    • Inchi: 1S/C8H6ClNO/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3
    • InChI Key: JJDNTIJMCMIVES-UHFFFAOYSA-N
    • SMILES: ClC1C2=CC=CC(C)=C2ON=1

Computed Properties

  • Exact Mass: 167.01388
  • Monoisotopic Mass: 167.0137915g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 153
  • 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
  • Topological Polar Surface Area: 26?2

Experimental Properties

  • PSA: 26.03

3-Chloro-7-methylbenzo[d]isoxazole Security Information

  • Storage Condition:Sealed in dry,2-8°C

3-Chloro-7-methylbenzo[d]isoxazole Pricemore >>

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Additional information on 3-Chloro-7-methylbenzo[d]isoxazole

Exploring the Properties and Applications of 3-Chloro-7-methylbenzo[d]isoxazole (CAS No. 128520-86-5)

3-Chloro-7-methylbenzo[d]isoxazole (CAS No. 128520-86-5) is a heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The benzo[d]isoxazole core, combined with chloro and methyl substituents, makes this compound a versatile intermediate in organic synthesis. Researchers and industry professionals often search for "3-Chloro-7-methylbenzo[d]isoxazole uses" or "CAS 128520-86-5 synthesis methods," reflecting its growing relevance in drug discovery and material science.

One of the key reasons for the interest in 3-Chloro-7-methylbenzo[d]isoxazole is its potential role in the development of novel therapeutic agents. The isoxazole ring is a common pharmacophore found in many FDA-approved drugs, contributing to antibacterial, antifungal, and anti-inflammatory properties. Recent studies have explored its derivatives for targeting neurological disorders, aligning with the rising global focus on mental health and neurodegenerative diseases. Searches like "isoxazole derivatives in CNS drug development" highlight this trend.

From a synthetic chemistry perspective, CAS No. 128520-86-5 serves as a valuable building block for constructing complex molecules. Its reactivity allows for modifications at the chloro and methyl positions, enabling the creation of diverse libraries for high-throughput screening. This aligns with the increasing demand for "custom heterocyclic compound synthesis" in academic and industrial labs. The compound's stability under various conditions also makes it suitable for scalable production, addressing queries such as "large-scale isoxazole manufacturing."

Environmental and sustainability considerations are another hotspot tied to 3-Chloro-7-methylbenzo[d]isoxazole. With green chemistry gaining traction, researchers are investigating eco-friendly protocols for its synthesis, including catalytic methods and solvent-free reactions. Queries like "green synthesis of halogenated isoxazoles" reflect this shift. Additionally, its potential applications in organic electronics—such as OLED materials—have sparked interest in "isoxazole-based semiconductors," connecting it to the booming renewable energy sector.

Analytical characterization of 128520-86-5 is another critical area. Advanced techniques like NMR, HPLC, and mass spectrometry are frequently employed to ensure purity and structural integrity. This ties into the broader discussion of "quality control in specialty chemicals," a concern for both suppliers and end-users. Regulatory compliance, particularly in regions with stringent chemical safety laws, further drives searches for "CAS 128520-86-5 safety data" and "handling guidelines for chlorinated isoxazoles."

In conclusion, 3-Chloro-7-methylbenzo[d]isoxazole (CAS No. 128520-86-5) represents a multifaceted compound with applications spanning pharmaceuticals, materials science, and sustainable chemistry. Its adaptability to modern research needs—from drug design to green synthesis—ensures its continued relevance. As innovation progresses, this compound will likely remain a focal point for queries like "emerging uses of benzo[d]isoxazole derivatives" and "CAS 128520-86-5 market trends," solidifying its place in the chemical landscape.

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