Cas no 852180-68-8 (3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde)

3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde is a versatile heterocyclic aldehyde featuring a 1,2,4-oxadiazole core substituted with a methyl group at the 5-position and a benzaldehyde moiety at the 3-position. This compound is valued for its structural rigidity and reactivity, making it a useful intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The oxadiazole ring enhances metabolic stability, while the aldehyde group provides a reactive handle for further derivatization, such as condensation or nucleophilic addition reactions. Its well-defined molecular structure ensures consistent performance in applications requiring precise chemical modifications. Suitable for research and industrial use, it offers high purity and reliable synthetic utility.
3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde structure
852180-68-8 structure
Product Name:3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
CAS No:852180-68-8
MF:C10H8N2O2
MW:188.182722091675
MDL:MFCD07368545
CID:717127
Update Time:2026-04-29

3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
    • Benzaldehyde,3-(5-methyl-1,2,4-oxadiazol-3-yl)-
    • 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde(SALTDATA: FREE)
    • MDL: MFCD07368545
    • Inchi: InChI=1S/C10H8N2O2/c1-7-11-10(12-14-7)9-4-2-3-8(5-9)6-13/h2-6H,1H3
    • InChI Key: UEKHVFDHZRFETL-UHFFFAOYSA-N
    • SMILES: CC1=NC(=NO1)C2=CC=CC(=C2)C=O

Computed Properties

  • Exact Mass: 188.05900
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2

Experimental Properties

  • Melting Point: 98 °C
  • PSA: 55.99000
  • LogP: 1.85750

3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 22-36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xn
  • HazardClass:IRRITANT

3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde Pricemore >>

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Additional information on 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde

Comprehensive Overview of 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde (CAS No. 852180-68-8)

3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde (CAS No. 852180-68-8) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound features a unique 1,2,4-oxadiazole ring, a heterocyclic moiety known for its versatility in drug design and material science. The presence of both the oxadiazole and benzaldehyde functional groups makes it a valuable intermediate for synthesizing bioactive molecules, including potential antiviral agents and enzyme inhibitors.

In recent years, the demand for heterocyclic compounds like 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde has surged due to their applications in medicinal chemistry and crop protection. Researchers are particularly interested in its role as a scaffold for drug discovery, especially in targeting inflammatory diseases and metabolic disorders. Its CAS No. 852180-68-8 is frequently searched in scientific databases, reflecting its relevance in high-throughput screening and structure-activity relationship (SAR) studies.

The compound’s benzaldehyde moiety allows for further derivatization, enabling the creation of novel Schiff bases or hydrazone derivatives, which are pivotal in developing antimicrobial and anticancer agents. Additionally, the 5-methyl-1,2,4-oxadiazole ring enhances its stability and bioavailability, making it a preferred choice for lead optimization in preclinical studies. These attributes align with current trends in green chemistry, where researchers prioritize sustainable synthesis methods for such intermediates.

From an industrial perspective, 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde is often discussed in the context of patented formulations and intellectual property in the pharmaceutical sector. Its CAS registry number (852180-68-8) is a critical identifier for regulatory compliance and material safety data sheets (MSDS). Moreover, its potential as a fluorescence probe or sensor material has sparked interest in analytical chemistry and diagnostic applications.

In summary, 3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzaldehyde represents a multifaceted compound with broad applicability across life sciences and industrial R&D. Its structural features and synthetic accessibility position it as a key player in advancing precision medicine and agrochemical innovation. As research continues, this compound is likely to remain a focal point for academic publications and commercial exploitation.

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