1-[1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one CAS 1797898-47-5
| CAS No. | 1797898-47-5 |
| Molecular Formula | C18H12ClF4N3O2 |
| Molecular Weight | 413.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 413.75 g/mol gives 1-[1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-[1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one (CAS 1797898-47-5), molecular formula C18H12ClF4N3O2 and molecular weight 413.75 g/mol, is a CATO reference standard with documented purity and traceability.
1-[1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one (C18H12ClF4N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1-[1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl]-2-[3-(trifluoromethyl)phenoxy]propan-1-one 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 | C18H12ClF4N3O2 |
| Molecular Weight | 413.75 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
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