5-(3-Isocyanatophenyl)-3-methyl-1,2,4-oxadiazole CAS 926921-56-4
| CAS No. | 926921-56-4 |
| Molecular Formula | C10H7N3O2 |
| Molecular Weight | 201.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-(3-Isocyanatophenyl)-3-methyl-1,2,4-oxadiazole (CAS 926921-56-4), molecular formula C10H7N3O2 and molecular weight 201.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-(3-Isocyanatophenyl)-3-methyl-1,2,4-oxadiazole (C10H7N3O2) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 5-(3-Isocyanatophenyl)-3-methyl-1,2,4-oxadiazole meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C10H7N3O2 |
| Molecular Weight | 201.18 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
Related Isocyanatophenyl Standards
- 3-(3-isocyanatophenyl)-5-methyl-1,2,4-oxadiazole (CAS 852180-69-9)
- 2-(4-Isocyanatophenyl)thiophene (CAS 852180-40-6)
- 3-(4-Isocyanatophenyl)-1-methyl-1H-pyrazole (CAS 921938-54-7)
- 5-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole (CAS 941716-86-5)
- 2-(4-Isocyanatophenyl)pyrimidine (CAS 216059-84-6)
- Ethyl (4-isocyanatophenyl)acetate (CAS 827629-60-7)
- 4-(4-isocyanatophenyl)morpholine (CAS 884332-72-3)
- Methyl 2-(2-isocyanatophenyl)acetate (CAS 347877-90-1)
Recommended Standards
- 5-(3H-Indol-2-yl)-1,3,4-oxadiazol-2(3H)-one (CAS 88458-43-9)
- 5-(Pyrimidin-5-yl)nicotinic acid (CAS 893740-59-5)
- 5-(1-Benzofuran-2-yl)-1,3,4-oxadiazol-2-amine (CAS 933244-58-7)
- 5-Pyridin-4-ylpyrimidine-2-carboxylic acid (CAS 793667-79-5)
- 7-(2-Cyclohexylethyl)-6-(hydroxymethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile (CAS 1059174-71-8)
- 2-(3-Amino-4-methylphenyl)acetic acid (CAS 54941-46-7)
- Ethyl 5-amino-1-phenyl-1H-1,2,3-triazole-4-carboxylate (CAS 20271-37-8)
- 2-(Aminomethyl)-6-(difluoromethyl)-3-fluoro-5-hydroxypyridine (CAS 1807133-09-0)
- 3-Chloro-2-methyl-5H-cyclopenta[b]pyridin-7(6H)-one (CAS 1447606-10-1)
- 4-(3-Chloro-5-fluorophenyl)-2-hydroxypyridine (CAS 1261938-64-0)
- 3-(6-Methylpyridin-2-yl)propanoic acid (CAS 842971-94-2)
- 3,4-Difluoro-N-(2-hydroxy-2-methyl-4-(methylthio)butyl)benzamide (CAS 1396888-31-5)
- 2-((4-Chlorophenyl)amino)propanehydrazide (CAS 1396979-05-7)
- Semaglutide impurity 286 (CAS CATO-C4X-2226286)
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