4-Allyl-2-phenyl-4-(trifluoromethyl)oxazol-5(4H)-one CAS 114490-65-2
| CAS No. | 114490-65-2 |
| Molecular Formula | C13H10F3NO2 |
| Molecular Weight | 269.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Allyl-2-phenyl-4-(trifluoromethyl)oxazol-5(4H)-one (CAS 114490-65-2) is a high-purity analytical reference standard with the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol.
Structurally, 4-Allyl-2-phenyl-4-(trifluoromethyl)oxazol-5(4H)-one (C13H10F3NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 269.22 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H10F3NO2 |
| Molecular Weight | 269.22 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- Ethyl 4-(trifluoromethyl)quinoline-2-carboxylate (CAS 1116339-55-9)
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- Ethyl 2-(trifluoromethyl)quinoline-4-carboxylate, 97% (CAS 1185292-57-2)
- 2,3-Dimethylphenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 320423-22-1)
- 2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid (CAS 343321-96-0)
- 5-Oxo-1-(pyridin-2-yl)pyrrolidine-2-carboxylic acid (CAS 2089674-26-8)
- [(3Z)-2-Oxo-1-phenyl-2,3-dihydro-1H-indol-3-ylidene]amino N-(2-methylphenyl)carbamate (CAS 866143-49-9)
- 2-(3-Amino-5-methyl-4,5-dihydro-1H-pyrazol-1-yl)thiazole-4-carboxylic acid (CAS 785737-61-3)
- (3R)-1-(4-nitrophenyl)pyrrolidin-3-ol (CAS 181959-79-5)
- 1-(3-Bromo-4-fluorobenzoyl)piperidine (CAS 1033201-74-9)
- 2-Allyl-7-amino-3,4-dihydroisoquinolin-1(2h)-one (CAS 1344331-94-7)
- Suzetrigine Impurity 37 (CAS CATO-C4X-336937)
- Semaglutide Impurity 6 (CAS 62-57-7)
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