Cas no 879896-54-5 (2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde)
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde is a versatile heterocyclic aldehyde featuring a 1,2,4-oxadiazole ring fused to a benzaldehyde moiety. Its key structural advantage lies in the oxadiazole ring, which enhances stability and reactivity, making it valuable in organic synthesis and pharmaceutical intermediates. The aldehyde group offers a reactive site for further functionalization, enabling applications in cross-coupling reactions, Schiff base formation, and heterocyclic scaffold construction. The methyl substitution on the oxadiazole ring contributes to improved solubility and steric modulation, facilitating selective reactions. This compound is particularly useful in medicinal chemistry for designing bioactive molecules due to its balanced lipophilicity and electronic properties.
879896-54-5 structure
Product Name:2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
CAS No:879896-54-5
MF:C10H8N2O2
MW:188.182722091675
CID:720026
PubChem ID:24229502
Update Time:2025-06-09
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,2-(3-methyl-1,2,4-oxadiazol-5-yl)-
- 2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
- MFCD09702359
- AKOS006344232
- 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, AldrichCPR
- 879896-54-5
- PS-3557
- FPQLUUWDLSUKNS-UHFFFAOYSA-N
- FT-0744663
- CS-0205547
- SCHEMBL1956754
- DTXSID90640217
- CHEMBL4470308
- DB-077164
-
- Inchi： 1S/C10H8N2O2/c1-7-11-10(14-12-7)9-5-3-2-4-8(9)6-13/h2-6H,1H3
- InChI Key： FPQLUUWDLSUKNS-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2C=O)=NC(C)=N1
Computed Properties
- Exact Mass: 188.05900
- Monoisotopic Mass: 188.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 210
- 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: 1.7
- Topological Polar Surface Area: 56?2
Experimental Properties
- Density: 1.238
- Melting Point: 66 °C
- Boiling Point: 361°C at 760 mmHg
- Flash Point: 172.1°C
- Refractive Index: 1.584
- PSA: 55.99000
- LogP: 1.85750
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
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%
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM527228-1g |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | 95% | 1g |
$557 | 2023-02-17 | |
| Apollo Scientific | OR12356-250mg |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | 97% | 250mg |
￡107.00 | 2023-09-02 | |
| TRC | M342393-10mg |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | 10mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M342393-50mg |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | 50mg |
$ 70.00 | 2022-06-03 | ||
| TRC | M342393-100mg |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | 100mg |
$ 115.00 | 2022-06-03 | ||
| Key Organics Ltd | PS-3557-1MG |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | >97% | 1mg |
￡37.00 | 2025-02-09 | |
| Key Organics Ltd | PS-3557-5MG |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | >97% | 5mg |
￡46.00 | 2025-02-09 | |
| Key Organics Ltd | PS-3557-10MG |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | >97% | 10mg |
￡63.00 | 2025-02-09 | |
| Key Organics Ltd | PS-3557-20MG |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | >97% | 20mg |
￡76.00 | 2023-04-19 | |
| Key Organics Ltd | PS-3557-0.5G |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
879896-54-5 | >97% | 0.5g |
￡214.00 | 2025-02-09 |
2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
879896-54-5 (2-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde) Related Products
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