Ethyl 2-bromo-3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate CAS 887267-61-0
| CAS No. | 887267-61-0 |
| Molecular Formula | C12H10BrF3O4 |
| Molecular Weight | 355.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Ethyl 2-bromo-3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate (CAS 887267-61-0), a certified reference material (molecular formula C12H10BrF3O4, MW 355.10 g/mol) for analytical method development and quality control.
The molecular framework of Ethyl 2-bromo-3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate (C12H10BrF3O4) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
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 | C12H10BrF3O4 |
| Molecular Weight | 355.10 g/mol |
| Appearance | Off-white to pale 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
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Recommended Standards
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- 7-Iodo-3-(1,1,1-trifluoro-2-methylpropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CAS 1057393-91-5)
- Ziprasidone Impurity 41 (CAS CATO-C4X-124041)
- bicyclo[3.3.1]nonan-1-ol (CAS 15158-56-2)
- 1-Bromo-4-[chloro(difluoro)methoxy]-2,3-difluoro-benzene (CAS 1417567-60-2)
- 2-(4-(Difluoromethyl)-5-iodo-6-methylpyridin-3-yl)acetic acid (CAS 1807146-77-5)
- Tolvaptan Impurity 36 (CAS CATO-C4X-195536)
- (E)-N-(2,4-difluorophenyl)-3-(methoxyimino)propanamide (CAS 303144-67-4)
- Sitafloxacin impurity 58 (CAS CATO-C4X-115558)
- 2-Propylnonanoicacid (CAS 65185-82-2)
- tert-Butyl (1R)-1-(hydroxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate (CAS 2177255-04-6)
- 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(4-chlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one (CAS 489416-77-5)
- Semaglutide Impurity 162 (x TFA Salt) (CAS CATO-C4X-2226162)
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