4,4,4-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)butane-1,3-dione CAS 1006319-27-2
| CAS No. | 1006319-27-2 |
| Molecular Formula | C8H7F3N2O2 |
| Molecular Weight | 220.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,4,4-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)butane-1,3-dione is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4,4,4-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)butane-1,3-dione (CAS 1006319-27-2) is a high-purity analytical reference standard with the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol.
Based on its molecular formula C8H7F3N2O2, 4,4,4-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)butane-1,3-dione contains a nitrogen-containing heterocyclic scaffold, 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 220.15 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.
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.
As a certified reference material (CRM), 4,4,4-Trifluoro-1-(1-methyl-1h-pyrazol-3-yl)butane-1,3-dione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C8H7F3N2O2 |
| Molecular Weight | 220.15 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoro Standards
- 4,4,4-Trifluoro-1-(1-methyl-1h-pyrazol-4-yl)butane-1,3-dione (CAS 1005592-50-6)
- Ethyl 2,3,5-trifluoro-4-hydroxybenzoate (CAS 1214351-42-4)
- 2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-amine (CAS 1248504-66-6)
- 2,2,2-Trifluoro-1-(4-nitrophenyl)ethanamine (CAS 1270543-98-0)
- Ethyl 2,4,5-trifluoro-3-hydroxybenzoate (CAS 128426-84-6)
- (S)-4-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid (CAS 130534-97-3)
- (R)-4-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid (CAS 150821-42-4)
- 3-(2,2,2-Trifluoro-1-hydroxyethyl)benzoic acid (CAS 1555494-89-7)
Recommended Standards
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- Valsartan Impurity 8 (CAS 137862-78-3)
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- 2-(3-Chloropropyl)-5-ethyl-1,3,4-thiadiazole (CAS 1493229-24-5)
- 4-Chloro-6-hydroxypicolinic acid (CAS 959244-16-7)
- 3,4,5-Triphenylisoxazole (CAS 22020-72-0)
- 4-(4-Chlorophenyl)-N-(4-ethoxyphenyl)thiazol-2-amine (CAS 328127-95-3)
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