Ethyl 5-amino-4-iodo-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylate CAS 1427023-89-9
| CAS No. | 1427023-89-9 |
| Molecular Formula | C13H11F3IN3O3 |
| Molecular Weight | 441.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 5-amino-4-iodo-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylate (C13H11F3IN3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/iodine 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.
Ethyl 5-amino-4-iodo-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxylate (CAS 1427023-89-9), molecular formula C13H11F3IN3O3 and molecular weight 441.14 g/mol, is a CATO reference standard with documented purity and traceability.
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-amino-4-iodo-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-3-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 | C13H11F3IN3O3 |
| Molecular Weight | 441.14 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- 3',6'-Dichloro-4,5,6,7-tetrafluoro-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one (CAS 1044164-77-3)
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- 3,3',5,5'-Tetrakis(pyridin-4-ylethynyl)-1,1'-biphenyl (CAS 1185909-06-1)
- 2-{[(2-Chloro-acetyl)-isopropyl-amino]-methyl}-pyrrolidine-1-carboxylic acid benzyl ester (CAS 1353956-20-3)
- 1,8-Naphthyridin-4-amine (CAS 54569-30-1)
- Ethyl (2S,3S)-3-hydroxybicyclo[2.2.2]Octane-2-carboxylate (CAS 2231665-06-6)
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