Methyl 2-fluoro-5-(2-hydroxypyrimidin-5-yl)benzoate CAS 1111104-18-7
| CAS No. | 1111104-18-7 |
| Molecular Formula | C12H9FN2O3 |
| Molecular Weight | 248.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
CATO supplies Methyl 2-fluoro-5-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1111104-18-7), a certified reference material (molecular formula C12H9FN2O3, MW 248.21 g/mol) for analytical method development and quality control.
Based on its molecular formula C12H9FN2O3, Methyl 2-fluoro-5-(2-hydroxypyrimidin-5-yl)benzoate 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 248.21 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.
Physical & Chemical Properties
| Molecular Formula | C12H9FN2O3 |
| Molecular Weight | 248.21 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-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 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- Methyl 2-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1111113-61-1)
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- 4-(4-Fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid (CAS 1261956-28-8)
- Methyl 3-fluoro-5-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1261987-03-4)
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