Methyl 5-(2-formyl-1H-pyrrol-1-yl)-1H-1,2,4-triazole-3-carboxylate CAS 554402-33-4
| CAS No. | 554402-33-4 |
| Molecular Formula | C9H8N4O3 |
| Molecular Weight | 220.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 5-(2-formyl-1H-pyrrol-1-yl)-1H-1,2,4-triazole-3-carboxylate (CAS 554402-33-4), molecular formula C9H8N4O3 and molecular weight 220.18 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 5-(2-formyl-1H-pyrrol-1-yl)-1H-1,2,4-triazole-3-carboxylate (C9H8N4O3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C9H8N4O3 |
| Molecular Weight | 220.18 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 methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Nitrogen Atoms | 4 |
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