2-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]-2,3,4,5,6,7-hexahydro-1H-indazol-3-one CAS 866137-83-9
| CAS No. | 866137-83-9 |
| Molecular Formula | C12H11F3N4O2 |
| Molecular Weight | 300.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]-2,3,4,5,6,7-hexahydro-1H-indazol-3-one.
CATO supplies 2-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]-2,3,4,5,6,7-hexahydro-1H-indazol-3-one (CAS 866137-83-9), a certified reference material (molecular formula C12H11F3N4O2, MW 300.24 g/mol) for analytical method development and quality control.
Based on its molecular formula C12H11F3N4O2, 2-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]-2,3,4,5,6,7-hexahydro-1H-indazol-3-one 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 300.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]-2,3,4,5,6,7-hexahydro-1H-indazol-3-one 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 | C12H11F3N4O2 |
| Molecular Weight | 300.24 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 |
| 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 | 4 |
Related Oxo Standards
- 1-((3-(Trifluoromethyl)phenoxy)methyl)-1h-pyrazole-3-carbohydrazide (CAS 1004193-88-7)
- Methyl 1-((3-(trifluoromethyl)phenoxy)methyl)-1h-pyrazole-3-carboxylate (CAS 1004193-78-5)
- (R)-2-(4-((4-(Trifluoromethyl)oxazol-2-yl)amino)phenyl)propanoic acid (CAS 1144016-27-2)
- [5-(4-Trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-yl]-acetic acid ethyl ester (CAS 1208081-48-4)
- [5-(3-Trifluoromethyl-phenyl)-[1,2,4]oxadiazol-3-yl]-acetic acid ethyl ester (CAS 1208081-92-8)
- 2-(4-((4-(Trifluoromethyl)oxazol-2-yl)amino)phenyl)propanoic acid (CAS 1217896-21-3)
- (S)-2-(4-((4-(Trifluoromethyl)oxazol-2-yl)amino)phenyl)propanoic acid (CAS 1217896-22-4)
- 5-((3-(Trifluoromethyl)phenoxy)methyl)furan-2-carbohydrazide (CAS 832740-62-2)
Recommended Standards
- 2,2,2-Trifluoroethyl (3-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-yl)carbamate (CAS 2126177-80-6)
- 3-(2-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 917889-37-3)
- 2-(4-Fluorobenzyl)-5-nitroisoindoline-1,3-dione (CAS 337474-19-8)
- 3-(3-Fluorophenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid (CAS 917889-38-4)
- Convolamine (CAS 500-56-1)
- (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(methylamino)-2-(4-(pyridin-2-yl)-1H-pyrazol-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol (CAS 765299-61-4)
- [(4-Ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetic acid (CAS 643749-97-7)
- 2-Ethoxy-5-{[(thiophen-2-yl)methyl]sulfamoyl}benzoic acid (CAS 866156-10-7)
- 4-(2-bromoethyl)-2,2-difluoro-2H-1,3-benzodioxole (CAS 531508-36-8)
- 9-(2-Bromo-5-chlorophenyl)-9H-carbazole (CAS 1361956-35-5)
- (4-Methoxybenzyl)trimethylsilane (CAS 17988-20-4)
- 2-((2-(2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)-N-(2-fluorophenyl)butanamide (CAS 896798-17-7)
- Calcium Levofolinate EP Impurity H (CAS 73951-54-9)
- Tirzepatide Impurity 15 (CAS CATO-C4X-324015)
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