5-(sec-Butyl)-4-fluoro-1H-pyrazol-3(2H)-one CAS 319459-72-8
| CAS No. | 319459-72-8 |
| Molecular Formula | C7H11FN2O |
| Molecular Weight | 158.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 158.17 g/mol gives 5-(sec-Butyl)-4-fluoro-1H-pyrazol-3(2H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(sec-Butyl)-4-fluoro-1H-pyrazol-3(2H)-one (CAS 319459-72-8), molecular formula C7H11FN2O and molecular weight 158.17 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C7H11FN2O, 5-(sec-Butyl)-4-fluoro-1H-pyrazol-3(2H)-one contains an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 158.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C7H11FN2O |
| Molecular Weight | 158.17 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 4-Fluorobicyclo[4.1.0]Heptane-3-carboxylic acid (CAS 2167737-03-1)
- 5-Butyl-4-fluoro-1H-pyrazol-3(2H)-one (CAS 319459-73-9)
- 4-Fluorobicyclo[2.2.1]heptane-1-carboxylic acid (CAS 84553-40-2)
- 5-Fluorobicyclo[3.1.1]Heptane-1-carboxylic acid (CAS 2231674-28-3)
- (2-Aminophenyl)(p-tolyl)methanone (CAS 36192-63-9)
- Benazolin-ethyl Impurity 14 (CAS 71266-15-4)
- (R)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-(methylthio)hexanoic acid (CAS 1013997-63-1)
- [3-(4-Chloro-benzyl)-2,5-dioxo-pyrrolidin-1-yl]-acetic acid (CAS 332849-48-6)
- Dyclonine Impurity 24 (CAS CATO-C4X-188124)
- 4-Bromo-2-(tert-butyl)-1-methoxybenzene (CAS 14804-34-3)
- 4-Fluorobenzo[d]oxazole-2-sulfonyl chloride (CAS 1804212-47-2)
- (2-Chloro-5-cyclopropyl-4-methylphenyl)boronic acid (CAS 2225172-83-6)
- (3'-(Trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanamine (CAS 946714-18-7)
- Peptide Impurity 82 (CAS 10491-78-8)
Why CATO?
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