ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate CAS 287923-49-3
| CAS No. | 287923-49-3 |
| Molecular Formula | C13H8ClF6N3O2 |
| Molecular Weight | 387.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate (CAS 287923-49-3), a certified reference material (molecular formula C13H8ClF6N3O2, MW 387.66 g/mol) for analytical method development and quality control.
ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate (C13H8ClF6N3O2) contains a nitrogen-containing heterocyclic scaffold, 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.
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 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-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 | C13H8ClF6N3O2 |
| Molecular Weight | 387.66 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related ethyl Standards
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- 7-Chloro-3-(2,4-dichloro-5-methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 339014-85-6)
- 3-(4-chloro-5-iodo-7-isopropyl-pyrrolo[2,3-d]pyrimidin-6-yl)propan-1-ol (CAS 2306277-17-6)
- 5-Chloro-1-(2,6-dichlorobenzyl)-N,N-diethyl-6-oxo-1,6-dihydropyridine-3-carboxamide (CAS 339024-04-3)
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- (R)-3,3-Bis[3,5-bis(trifluoromethyl)phenyl]-1,1-binaphthyl-2,2-disulfonimide (CAS 1174193-01-1)
- Lifitegrast Impurity 78 (CAS CATO-C4X-240978)
- 4-Chloro-3-fluoro-5-(trifluoromethyl)pyridine (CAS 1804881-01-3)
- 4-Chloro-6-(difluoromethyl)-5-formylpicolinonitrile (CAS 1805260-38-1)
- 5-Methyl-2,4-diphenyloxazole (CAS 38511-88-5)
- 7,9-Methano-7H-oxepino[3,4-a]pyrrolo[2,3-d]carbazole-13-acetic acid, 2,3,5,6,7a,8,8a,11,13,13a,13b,14-dodecahydro-1-nitro-2,3-dioxo-, (4bR,7aR,8aS,13R,13aS,13bR)-rel- (CAS 1281302-73-5)
- Semaglutide impurity 54 (CAS CATO-C4X-222654)
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