5-Chloro-6-(oxetan-3-yloxy)pyrimidin-4(3H)-one CAS 1598096-47-9
| CAS No. | 1598096-47-9 |
| Molecular Formula | C7H7ClN2O3 |
| Molecular Weight | 202.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Chloro-6-(oxetan-3-yloxy)pyrimidin-4(3H)-one (C7H7ClN2O3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. 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.
5-Chloro-6-(oxetan-3-yloxy)pyrimidin-4(3H)-one (CAS 1598096-47-9), molecular formula C7H7ClN2O3 and molecular weight 202.60 g/mol, is a CATO reference standard with documented purity and traceability.
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), 5-Chloro-6-(oxetan-3-yloxy)pyrimidin-4(3H)-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 | C7H7ClN2O3 |
| Molecular Weight | 202.60 g/mol |
| Appearance | Off-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 sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| 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.) | 1993 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- 6-Chloro-2-ethoxy-3-nitropyridine (CAS 1094323-19-9)
- 2-Chloro-N,N-dimethyl-5-nitropyrimidin-4-amine (CAS 1131-14-2)
- 1-(2-Chloro-5-nitropyridin-4-yl)ethanol (CAS 1214241-89-0)
- Methyl 6-chloro-2-methoxypyrimidine-4-carboxylate (CAS 127840-06-6)
- Methyl 2-chloro-6-methoxypyrimidine-4-carboxylate (CAS 127861-30-7)
- 4-Chloro-2,6-dimethoxypyrimidine-5-carbaldehyde (CAS 134221-52-6)
- 2-Chloro-3-ethoxy-5-nitropyridine (CAS 1352910-89-4)
- 4-Chloro-6-ethyl-5-nitro-2-pyrimidinamine (CAS 1384431-00-8)
Recommended Standards
- Methyl 6-chloro-3-methoxypyridazine-4-carboxylate (CAS 1591827-16-5)
- 5-Chloro-4-methoxy-2-nitroaniline (CAS 160088-54-0)
- 3-Chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (CAS 1555667-48-5)
- Methyl 6-chloro-5-methoxypyrazine-2-carboxylate (CAS 1823894-32-1)
- 4-(Hydrazinylmethyl)-1,3,5-trimethyl-1h-pyrazole (CAS 1152936-74-7)
- 3-(3-(Chloromethyl)-1,2,4-oxadiazol-5-yl)-N-(2-ethyl-6-methylphenyl)propanamide (CAS 1432436-58-2)
- 9,10-Diphenyl-9,10-dihydroacridine (CAS 95888-29-2)
- 4-(Difluoromethyl)-2-fluoropyridine (CAS 84940-51-2)
- (E)-6-(2-chlorostyryl)-4,4-dimethyl-2-(methylthio)-1,4-dihydropyrimidine (CAS 282523-38-0)
- 5,5-Dimethyl-2-(m-tolyl)-1,3,2-dioxaborinane (CAS 223799-24-4)
- 2-Bromo-N-(3-methoxyphenyl)propanamide (CAS 1119449-95-4)
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- Mirogabalin Impurity 43 (CAS CATO-C4X-292443)
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