Methyl 3-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoate CAS 848606-75-7
| CAS No. | 848606-75-7 |
| Molecular Formula | C12H9F3N2O3 |
| Molecular Weight | 286.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO manufactures Methyl 3-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Methyl 3-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoate (CAS 848606-75-7), molecular formula C12H9F3N2O3 and molecular weight 286.21 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 3-(5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoate (C12H9F3N2O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C12H9F3N2O3 |
| Molecular Weight | 286.21 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Ethyl 5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazole-2-carboxylate (CAS 720702-68-1)
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- Ethyl 4-oxo-7-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxylate (CAS 256238-90-1)
- N-Methyl-4-nitro-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine (CAS 321533-61-3)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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