3-(Difluoromethyl)isoxazole-4-carboxylic acid CAS 2118317-97-6
| CAS No. | 2118317-97-6 |
| Molecular Formula | C5H3F2NO3 |
| Molecular Weight | 163.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 163.08 g/mol gives 3-(Difluoromethyl)isoxazole-4-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-(Difluoromethyl)isoxazole-4-carboxylic acid (CAS 2118317-97-6), a certified reference material (molecular formula C5H3F2NO3, MW 163.08 g/mol) for analytical method development and quality control.
Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, 3-(Difluoromethyl)isoxazole-4-carboxylic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 163.08 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
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.
Physical & Chemical Properties
| Molecular Formula | C5H3F2NO3 |
| Molecular Weight | 163.08 g/mol |
| Appearance | Off-white to pale 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, water |
| 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 |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluoromethyl Standards
- 1-(Difluoromethyl)-3-nitro-1h-pyrazole (CAS 1002034-26-5)
- 5-(Difluoromethyl)isoxazole-4-carboxylic acid (CAS 1340252-15-4)
- 2-(Difluoromethyl)oxazole-4-carboxylic acid (CAS 1627894-70-5)
- 5-(Difluoromethyl)isoxazole-3-carboxylic acid (CAS 1785023-01-9)
- 4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid (CAS 1849376-53-9)
- 3-(Difluoromethyl)isoxazole-5-carboxylic acid (CAS 1935503-24-4)
- 1-(difluoromethyl)-4-nitro-1H-pyrazole (CAS 956477-64-8)
- 2-(Difluoromethyl)-5-fluoropyridin-4-ol (CAS 1804703-31-8)
Recommended Standards
- 3,3,4,4,4-Pentafluorobutan-1-amine (CAS 139978-28-2)
- 4-nitro-1,2,5-oxadiazole-3-carboxylic acid (CAS 159014-11-6)
- 2-((Carboxymethoxy)amino)-2-oxoacetic acid (CAS 177902-90-8)
- Methyl(2,2,3,3,3-pentafluoropropyl)amine (CAS 425-73-0)
- 2-(1-Hydroxyethyl)-5-methoxyphenylboronic acid (CAS 2096332-52-2)
- Ethyl 1-(difluoromethyl)-3-iodo-1H-pyrazole-4-carboxylate (CAS 2221016-71-1)
- 6-Chloro-2-methyl-N-(2-morpholinoethyl)pyrimidin-4-amine (CAS 127116-23-8)
- 2-(Oxetan-3-yloxy)benzonitrile (CAS 1552216-20-2)
- Flupentixol EP Impurity D (CAS 791521-96-5)
- 3-((2-Chloro-6-fluorobenzyl)thio)-5-(((4-chlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazole (CAS 344269-58-5)
- 2-(2,4-Dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethyl-6-methylphenyl)acetamide (CAS 565207-47-8)
- 2-(Difluoromethyl)-3-nitropyridine-4-methanol (CAS 1805123-64-1)
- 4-(((8-Hydroxyquinolin-7-yl)(phenyl)methyl)amino)benzoic acid (CAS 5335-97-7)
- [Plus-β-Ala28]-Semaglutide (CAS CATO-C4X-2226221)
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