methyl 4-fluoro-2-oxo-3H-1,3-benzoxazole-6-carboxylate CAS 2114128-67-3
| CAS No. | 2114128-67-3 |
| Molecular Formula | C9H12FNO4 |
| Molecular Weight | 217.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 217.19 g/mol gives methyl 4-fluoro-2-oxo-3H-1,3-benzoxazole-6-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
methyl 4-fluoro-2-oxo-3H-1,3-benzoxazole-6-carboxylate (CAS 2114128-67-3) is a high-purity analytical reference standard with the molecular formula C9H12FNO4 and a molecular weight of 217.19 g/mol.
methyl 4-fluoro-2-oxo-3H-1,3-benzoxazole-6-carboxylate (C9H12FNO4) 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.
CATO manufactures methyl 4-fluoro-2-oxo-3H-1,3-benzoxazole-6-carboxylate 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.
Physical & Chemical Properties
| Molecular Formula | C9H12FNO4 |
| Molecular Weight | 217.19 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 |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related methyl Standards
- 2-(4-fluoro-2-oxo-1,3-benzoxazol-3-yl)acetic acid (CAS 1538107-82-2)
- 4-fluoro-3-methyl-2-oxo-1,3-benzoxazole-6-carboxylic acid (CAS 1556384-16-7)
- 4-fluoro-3-methyl-2-oxo-1,3-benzoxazole-5-carboxylic acid (CAS 2387596-14-5)
- 4-fluoro-3-methyl-2-oxo-1,3-benzoxazole-7-carboxylic acid (CAS 2387595-25-5)
- 5-fluoro-3-methyl-2-oxo-1,3-benzoxazole-4-carboxylic acid (CAS 2387594-64-9)
- 5-fluoro-3-methyl-2-oxo-1,3-benzoxazole-6-carboxylic acid (CAS 2387598-86-7)
- 5-fluoro-3-methyl-2-oxo-1,3-benzoxazole-7-carboxylic acid (CAS 2387595-88-0)
- 5-fluoro-3-methyl-6-nitro-3H-isobenzofuran-1-one (CAS 2231233-90-0)
Recommended Standards
- methyl 4-fluoro-2-oxo-3H-1,3-benzoxazole-5-carboxylate (CAS 2387598-80-1)
- methyl 4-fluoro-2-oxo-3H-1,3-benzoxazole-7-carboxylate (CAS 2105182-52-1)
- Methyl 2-(4-fluoro-3-oxo-2,3-dihydroisoxazol-5-yl)-3-methylbutanoate (CAS 2378054-11-4)
- methyl 5-fluoro-2-oxo-3H-1,3-benzoxazole-4-carboxylate (CAS 2115806-45-4)
- 4-Chloro-6-(trifluoromethyl)-1,3-dihydro-2H-benzo[d]imidazole-2-thione (CAS 175135-18-9)
- 1-methylpyrazolo[4,3-c]pyridine-7-carboxylic acid (CAS 1557890-05-7)
- BS-181 (CAS 1092443-52-1)
- 2-Chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide (CAS 937700-28-2)
- (E)-4-((9,10-dioxo-9,10-dihydroanthracen-2-yl)amino)-4-oxobut-2-enoic acid (CAS 351516-91-1)
- Cariprazine Impurity 28 (CAS CATO-C4X-240828)
- 4-Methoxy-6-(methylselanyl)pyrimidin-2-amine (CAS 100559-66-8)
- N-(2-Oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yl)acetamide (CAS 113259-61-3)
- 2-Hydroxy-5-methyl-4-nitroisoindoline-1,3-dione (CAS 647860-37-5)
- Peptide Impurity 82 (CAS 10491-78-8)
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