1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione CAS 758709-44-3
| CAS No. | 758709-44-3 |
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 758709-44-3), a certified reference material (molecular formula C9H9F3N2O2, MW 234.18 g/mol) for analytical method development and quality control.
The molecular framework of 1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione (C9H9F3N2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-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 | C9H9F3N2O2 |
| Molecular Weight | 234.18 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.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Dimethyl Standards
- 1-(1,5-Dimethyl-1h-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 1005612-96-3)
- Dimethyl 3-(difluoromethyl)-1H-pyrazole-4,5-dicarboxylate (CAS 1808112-23-3)
- 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 1146293-67-5)
- Dimethyl 1H-pyrrolo[2,3-b]pyridine-4,6-dicarboxylate (CAS 1190312-50-5)
- 5-(1,3-Dimethyl-1H-pyrazole-5-carbonyl)furan-2-carboxylic acid (CAS 1399656-34-8)
- 5-(1,5-Dimethyl-1H-pyrazole-3-carbonyl)furan-2-carboxylic acid (CAS 1399656-54-2)
- 4,4-Dimethyl-7-nitroisoquinoline-1,3(2H,4H)-dione (CAS 14576-21-7)
- 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid (CAS 924843-71-0)
Recommended Standards
- (S)-6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (CAS 2334458-70-5)
- 1-(2-Fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid (CAS 926231-98-3)
- (R)-6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (CAS 2334458-68-1)
- 1-(3-fluoro-4-nitrophenyl)pyridin-2(1H)-one (CAS 896123-18-5)
- 4-Methylpyrido[2,3-d]pyrimidine (CAS 28732-71-0)
- ethyl 5-fluoropyrimidine-2-carboxylate (CAS 1227572-02-2)
- (4-fluoro-2-methylphenyl)methanesulfonamide (CAS 1247342-88-6)
- Methyl 2-cyano-3-(trifluoromethyl)benzoate (CAS 1211596-75-6)
- 4-(2-Methoxyphenyl)-3-nitrobut-3-en-2-one (CAS 1417574-80-1)
- Methyl 2-amino-2-(3-hydroxy-4-methoxyphenyl)acetate (CAS 1218406-55-3)
- 3-(3-Benzylpiperidin-1-yl) 5-(1-benzylpiperidin-3-yl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (CAS 2725485-58-3)
- Human glucagon CRS (CAS 9007-92-5)
- (2''-Methyl-[1,1':4',1''-terphenyl]-4-yl)boronic acid (CAS 491595-39-2)
- Semaglutide Impurity 186 (CAS CATO-C4X-2226186)
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