Cas no 10531-77-8 (1,2-Benzisoxazole,5-methyl-)
1,2-Benzisoxazole,5-methyl- is a heterocyclic organic compound featuring a benzisoxazole core substituted with a methyl group at the 5-position. This structure imparts stability and reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its fused aromatic system enhances electronic properties, facilitating applications in material science and catalysis. The compound's well-defined molecular framework allows for precise modifications, enabling tailored functionality in drug discovery and specialty chemicals. High purity grades are available to meet rigorous research and industrial requirements. Its compatibility with diverse reaction conditions underscores its versatility in organic synthesis. Proper handling and storage are recommended to maintain integrity.
1,2-Benzisoxazole,5-methyl- structure
Product Name:1,2-Benzisoxazole,5-methyl-
CAS No:10531-77-8
MF:C8H7NO
MW:133.147281885147
CID:136731
PubChem ID:21188973
Update Time:2025-11-04
1,2-Benzisoxazole,5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazole,5-methyl-
- 5-methyl-1,2-Benzisoxazole
- 5-methyl-1,2-benzoxazole
- 1,2-Benzisoxazole,5-methyl
- 5-Methyl-benzisoxazol
- FT-0704456
- DTXSID90611240
- 5-Methylbenzo[d]isoxazole
- AKOS006292349
- 1,2-Benzisoxazole, 5-methyl-
- D78569
- 10531-77-8
- SCHEMBL2616766
-
- Inchi： 1S/C8H7NO/c1-6-2-3-8-7(4-6)5-9-10-8/h2-5H,1H3
- InChI Key： AINBEIXHMHVGML-UHFFFAOYSA-N
- SMILES： O1C2C=CC(C)=CC=2C=N1
Computed Properties
- Exact Mass: 133.05300
- Monoisotopic Mass: 133.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 126
- 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: 2
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03000
- LogP: 2.13620
1,2-Benzisoxazole,5-methyl- 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%
1,2-Benzisoxazole,5-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1248675-100mg |
1,2-Benzisoxazole,5-methyl- |
10531-77-8 | 95% | 100mg |
$260 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1248675-250mg |
1,2-Benzisoxazole,5-methyl- |
10531-77-8 | 95% | 250mg |
$420 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1248675-1g |
1,2-Benzisoxazole,5-methyl- |
10531-77-8 | 95% | 1g |
$750 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1248675-250mg |
1,2-Benzisoxazole,5-methyl- |
10531-77-8 | 95% | 250mg |
$875 | 2025-02-27 | |
| eNovation Chemicals LLC | Y1248675-100mg |
1,2-Benzisoxazole,5-methyl- |
10531-77-8 | 95% | 100mg |
$515 | 2025-02-27 | |
| 1PlusChem | 1P0085JX-100mg |
1,2-Benzisoxazole,5-methyl- |
10531-77-8 | 95% | 100mg |
$152.00 | 2023-12-26 | |
| 1PlusChem | 1P0085JX-250mg |
1,2-Benzisoxazole,5-methyl- |
10531-77-8 | 95% | 250mg |
$269.00 | 2023-12-26 | |
| 1PlusChem | 1P0085JX-1g |
1,2-Benzisoxazole,5-methyl- |
10531-77-8 | 95% | 1g |
$517.00 | 2023-12-26 | |
| Ambeed | A184610-100mg |
5-Methylbenzo[d]isoxazole |
10531-77-8 | 97% | 100mg |
$136.0 | 2025-02-25 | |
| Ambeed | A184610-250mg |
5-Methylbenzo[d]isoxazole |
10531-77-8 | 97% | 250mg |
$273.0 | 2025-02-25 |
1,2-Benzisoxazole,5-methyl- Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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