[5-(2,4-Difluorophenyl)isoxazol-3-yl]acetic acid CAS 1105191-64-7
| CAS No. | 1105191-64-7 |
| Molecular Formula | C11H7F2NO3 |
| Molecular Weight | 239.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, [5-(2,4-Difluorophenyl)isoxazol-3-yl]acetic acid (C11H7F2NO3) 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 239.17 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies [5-(2,4-Difluorophenyl)isoxazol-3-yl]acetic acid (CAS 1105191-64-7), a certified reference material (molecular formula C11H7F2NO3, MW 239.17 g/mol) for analytical method development and quality control.
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-(2,4-Difluorophenyl)isoxazol-3-yl]acetic 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 | C11H7F2NO3 |
| Molecular Weight | 239.17 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-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.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluorophenyl Standards
- Methyl 5-(2,4-Difluorophenyl)isoxazole-3-carboxylate (CAS 1105191-49-8)
- 5-[(2,5-Difluorophenyl)methyl]-1,2-oxazole-3-carboxylic Acid (CAS 1258503-80-8)
- 2-[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]acetic acid (CAS 1311316-26-3)
- 3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid (CAS 1494042-42-0)
- 3-(2,6-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid (CAS 1673-75-2)
- 3-(2,4-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid (CAS 334971-42-5)
- 1-(3,5-Difluorophenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid (CAS 1094411-40-1)
- 1-(3,4-difluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 1152513-29-5)
Recommended Standards
- 7,8-Difluoro-2-methoxyquinoline-4-carboxylic acid (CAS 1125702-51-3)
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- 4-(Aminomethyl)phenyl acetate (CAS 75383-64-1)
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- (3-Chloro-4-methylphenyl)(1,4-diazepan-1-yl)methanone hydrochloride (CAS 1601374-97-3)
- 1-(4-Fluorophenyl)-4-methyl-1H-pyrazol-5-amine (CAS 1448854-96-3)
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