Ethyl 3-(2,2,2-trifluoroethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylate CAS 1956322-85-2
| CAS No. | 1956322-85-2 |
| Molecular Formula | C9H8F3N5O2 |
| Molecular Weight | 275.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 3-(2,2,2-trifluoroethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 3-(2,2,2-trifluoroethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylate (CAS 1956322-85-2), molecular formula C9H8F3N5O2 and molecular weight 275.19 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 3-(2,2,2-trifluoroethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylate (C9H8F3N5O2) 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 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 275.19 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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), Ethyl 3-(2,2,2-trifluoroethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-7-carboxylate 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 | C9H8F3N5O2 |
| Molecular Weight | 275.19 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 DMSO, DMF, methanol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
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Recommended Standards
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- Vitamin D4 (CAS 511-28-4)
- 3-Cyclopentyl-1-methyl-4-propyl-1h-pyrazol-5-amine (CAS 1539845-01-6)
- Ethyl 3-(thiazol-2-yl)benzoate (CAS 886851-29-2)
- 6-Chloro-2,3-dihydro-1-oxo-1H-isoindole-5-carboxylic Acid Methyl Ester (CAS 1427360-50-6)
- [rel-(3aS,4S,6R,6aR)-4-(hydroxymethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol (CAS 59210-93-4)
- Nifuroxazide EP Impurity D (CAS 736-53-8)
- Roxadustat Impurity 77 (CAS CATO-C4X-221377)
- 2-(3-((1-Methylpiperidin-4-yl)methyl)imidazo[1,5-a]pyridin-1-yl)acetamide (CAS 1312786-07-4)
- 1-(4-aminopyridin-3-yl)-2,2,2-trifluoroethan-1-one (CAS 1343447-95-9)
- Semaglutide Impurity 75 (CAS CATO-C4X-2226175)
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