4,4-Dimethyl-2-(trifluoromethyl)oxazol-5(4H)-one CAS 705-20-4
| CAS No. | 705-20-4 |
| Molecular Formula | C6H6F3NO2 |
| Molecular Weight | 181.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4,4-Dimethyl-2-(trifluoromethyl)oxazol-5(4H)-one (CAS 705-20-4), molecular formula C6H6F3NO2 and molecular weight 181.11 g/mol, is a CATO reference standard with documented purity and traceability.
4,4-Dimethyl-2-(trifluoromethyl)oxazol-5(4H)-one (C6H6F3NO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C6H6F3NO2 |
| Molecular Weight | 181.11 g/mol |
| Appearance | 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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- 2-(4-Acetyl-5,5-dimethyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)acetonitrile (CAS 130781-62-3)
- 2,2-Dimethyl-3-(1h-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (CAS 1339078-51-1)
- 2-(4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetic acid (CAS 1518990-45-8)
- Methyl 1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylate (CAS 1660118-40-0)
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Recommended Standards
- 4-(Trifluoromethyl)piperidine-2,6-dione (CAS 356518-29-1)
- 5-Methyl-5-(trifluoromethyl)pyrrolidine-2,4-dione (CAS 1997200-27-7)
- 5-Nitrobenzo[c][1,2,5]oxadiazol-4-ol (CAS 22250-52-8)
- 2-Cyano-1,1,1-trifluoropropan-2-yl acetate (CAS 4588-51-6)
- 7-(3,4,5-Trimethoxyphenyl)-7-oxoheptanoic acid (CAS 951891-88-6)
- 2-(4-Phenoxyphenyl)ethan-1-amine (CAS 118468-18-1)
- 5-Chloroimidazo[1,5-c]pyrimidine-7-carbonitrile (CAS 1352904-35-8)
- N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)propan-2-amine (CAS 21398-64-1)
- 2,3,5-Trifluoro-6-methoxypyridine (CAS 3746-18-7)
- (3,5-Dichlorophenyl)(3-fluoro-5-methylphenyl)methanone (CAS 951887-03-9)
- (2S)-2-((Tetrahydro-2H-pyran-2-yl)oxy)propanal (CAS 76438-34-1)
- 5-((2-Hydroxyethyl)thio)-6-methyl-2-(trichloromethyl)pyrimidin-4(3H)-one (CAS 82551-97-1)
- 2-Methyl-6-oxo-1,6-dihydropyrimidine-5-carbohydrazide (CAS 40640-53-7)
- Semaglutide impurity 104(Fmoc-D-His-Aib) (CAS 2171211-18-8)
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