Ethyl 5-hydroxy-5-(trifluoromethyl)-5h,8h-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate CAS 940271-58-9
| CAS No. | 940271-58-9 |
| Molecular Formula | C9H9F3N4O3 |
| Molecular Weight | 278.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Ethyl 5-hydroxy-5-(trifluoromethyl)-5h,8h-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate (C9H9F3N4O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 278.19 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Ethyl 5-hydroxy-5-(trifluoromethyl)-5h,8h-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate (CAS 940271-58-9), molecular formula C9H9F3N4O3 and molecular weight 278.19 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Ethyl 5-hydroxy-5-(trifluoromethyl)-5h,8h-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H9F3N4O3 |
| Molecular Weight | 278.19 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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