Ethyl 2-iodo-5-(trifluoromethyl)oxazole-4-carboxylate CAS 2770348-69-9
| CAS No. | 2770348-69-9 |
| Molecular Formula | C7H5F3INO3 |
| Molecular Weight | 335.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Ethyl 2-iodo-5-(trifluoromethyl)oxazole-4-carboxylate (C7H5F3INO3) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Ethyl 2-iodo-5-(trifluoromethyl)oxazole-4-carboxylate (CAS 2770348-69-9), molecular formula C7H5F3INO3 and molecular weight 335.02 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C7H5F3INO3 |
| Molecular Weight | 335.02 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 |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 1-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone (CAS 131805-94-2)
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- 2-Methyl-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide (CAS 1374263-57-6)
- 2-Bromo-4-(trifluoromethyl)thiazole-5-carboxamide (CAS 1823883-11-9)
- 5-(Hydroxy(5-methylfuran-2-yl)methylene)thiazolidine-2,4-dione (CAS 404008-46-4)
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- 2-(Dimethylamino)-2,3-dihydro-1H-indene-2-carbonitrile (CAS 1157501-60-4)
- D-Leu14-Tirzepatide (CAS CATO-CPTD788920)
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