3-((1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)oxy)butan-2-one CAS 477708-98-8
| CAS No. | 477708-98-8 |
| Molecular Formula | C9H11F3N2O2 |
| Molecular Weight | 236.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)oxy)butan-2-one (CAS 477708-98-8), molecular formula C9H11F3N2O2 and molecular weight 236.19 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 3-((1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)oxy)butan-2-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 236.19 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H11F3N2O2 |
| Molecular Weight | 236.19 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, keep tightly closed to prevent evaporation |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 3-(5-Methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)propanehydrazide (CAS 1001518-86-0)
- 2-(5-Methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)propanehydrazide (CAS 1005592-15-3)
- 2-[5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]butanoic acid (CAS 1006348-57-7)
- 4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid (CAS 1006461-93-3)
- 8-(Trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CAS 1206200-20-5)
- 2-Methyl-6-(trifluoromethyl)quinoline-4-carbonitrile (CAS 1367803-93-7)
- 2-((6-(Trifluoromethyl)pyridin-2-yl)amino)propane-1,3-diol (CAS 1427685-03-7)
- 4-[4-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid (CAS 1795503-08-0)
Recommended Standards
- 2-Ethoxy-6-(2,2,2-trifluoroacetyl)cyclohex-2-en-1-one (CAS 2822594-05-6)
- 3-(3-(Trifluoromethyl)phenoxy)propane-1,2-diol (CAS 902261-47-6)
- 2-Difluoromethanesulfonylbenzoic acid (CAS 79676-58-7)
- 3,4',5-Trifluorobenzophenone (CAS 951885-91-9)
- 4-(5-Formylfuran-2-yl)-n-(pyrimidin-2-yl)benzenesulfonamide (CAS 568566-39-2)
- Bohemine (CAS 189232-42-6)
- 5-(3-(2,4-Dimethylphenyl)-1,2,4-oxadiazol-5-yl)-4-ethylthiazol-2-amine (CAS 1710344-84-5)
- dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(5-nitro-2-pyridinyl)malonate (CAS 685108-33-2)
- 1-(1,3-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroethanol (CAS 1245771-85-0)
- 2,5-Dihydro-1H-pyrrole-3-carboxylic acid (CAS 72519-12-1)
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- Olmesartan Impurity 65 (CAS 2101308-74-9)
- Semaglutide Impurity 190 (CAS CATO-C4X-2226190)
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