Methyl 3-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate CAS 1111113-69-9
| CAS No. | 1111113-69-9 |
| Molecular Formula | C12H9FN2O3 |
| Molecular Weight | 248.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 3-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1111113-69-9), molecular formula C12H9FN2O3 and molecular weight 248.21 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 3-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate (C12H9FN2O3) 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), Methyl 3-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate 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 | 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-5-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1111104-18-7)
- Methyl 2-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1111113-61-1)
- 3-((4-Fluoro-2-nitrophenoxy)methyl)pyridine (CAS 1140039-71-9)
- 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)
- Methyl 4-fluoro-3-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1261991-57-4)
- 9-Fluoro-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2-carboxylic acid (CAS 1282517-43-4)
- 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 1397179-21-3)
Recommended Standards
- 2-(3-(2-Fluorophenyl)-6-oxopyridazin-1(6H)-yl)acetic acid (CAS 1206119-33-6)
- 1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid (CAS 1105192-19-5)
- 2-(3-Aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 1248563-99-6)
- 8-(4-Fluorophenyl)-2,6,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazine-3,4-dione (CAS 1105190-03-1)
- ethyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CAS 343334-01-0)
- 2-(4-Benzylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide (CAS 303091-39-6)
- 2-(1,3-Dimethyl-2,6-dioxo-8-((2-oxopropyl)thio)-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide (CAS 1251583-02-4)
- 2-Cyclohexyl-5-phenyloxazole (CAS 18860-06-5)
- 2-Ethynyl-2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromene (CAS 320784-74-5)
- Methyl 4-bromopyrimidine-5-carboxylate (CAS 1260859-62-8)
- 2-(Aminomethyl)-6-(difluoromethyl)-4-methylpyridine-3-acetic acid (CAS 1361783-94-9)
- N-allyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CAS 477863-94-8)
- 3-(Ethylthio)isoquinolin-4-amine (CAS 92071-67-5)
- Liraglutide(13-31)TFA Salt (CAS CATO-C4X-19929)
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