5-(3,4-Difluorophenyl)isoxazole-3-carboxylic Acid CAS 1017513-51-7
| CAS No. | 1017513-51-7 |
| Molecular Formula | C10H5F2NO3 |
| Molecular Weight | 225.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-(3,4-Difluorophenyl)isoxazole-3-carboxylic Acid (CAS 1017513-51-7), molecular formula C10H5F2NO3 and molecular weight 225.15 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-(3,4-Difluorophenyl)isoxazole-3-carboxylic Acid (C10H5F2NO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 225.15 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), 5-(3,4-Difluorophenyl)isoxazole-3-carboxylic Acid 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 | C10H5F2NO3 |
| Molecular Weight | 225.15 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluorophenyl Standards
- 1-(3,5-Difluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 1038261-56-1)
- 1-(3,4-Difluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 1038261-86-7)
- 5-(2,4-Difluorophenyl)isoxazole-3-carboxylic Acid (CAS 1083224-23-0)
- 3-(2,3-Difluorophenyl)isoxazole-5-carboxylic acid (CAS 1126636-77-8)
- 3-(2,6-Difluorophenyl)-1,2-oxazole-5-carboxylic acid (CAS 1152531-95-7)
- 1-(3,5-Difluorophenyl)-1h-1,2,3-triazole-5-carboxylic acid (CAS 1153490-77-7)
- 5-(2,6-Difluorophenyl)isoxazole-3-carboxylic Acid (CAS 1188054-32-1)
- 5-(3,4-Difluorophenyl)oxazole-4-carboxylic acid (CAS 1247921-87-4)
Recommended Standards
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