3-Methyl-5-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxylic acid CAS 220652-98-2
| CAS No. | 220652-98-2 |
| Molecular Formula | C12H8F3NO3 |
| Molecular Weight | 271.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Methyl-5-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxylic acid (CAS 220652-98-2), molecular formula C12H8F3NO3 and molecular weight 271.19 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Methyl-5-(4-(trifluoromethyl)phenyl)isoxazole-4-carboxylic acid (C12H8F3NO3) 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 271.19 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C12H8F3NO3 |
| Molecular Weight | 271.19 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 chloroform, dichloromethane, ethyl acetate, 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.) | 2020 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 5-(Trifluoromethyl)-3-p-tolylisoxazole-4-carboxylic Acid (CAS 1159978-80-9)
- 2-(4-Oxo-6-(trifluoromethyl)quinolin-1(4H)-yl)acetic acid (CAS 1219212-34-6)
- 5-Methyl-3-(2-(trifluoromethyl)phenyl)isoxazole-4-carboxylic acid (CAS 1370418-81-7)
- 2-((8-(Trifluoromethyl)quinolin-4-yl)oxy)acetic acid (CAS 845264-81-5)
- 5-Methyl-2-(4-(trifluoromethyl)phenyl)oxazole-4-carboxylic acid (CAS 355020-55-2)
- 5-Methyl-2-[3-(trifluoromethyl)phenyl]oxazole-4-carboxylic Acid (CAS 848188-39-6)
- 5-Methyl-3-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxylic Acid (CAS 943130-82-3)
- Methyl 3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxylate (CAS 330558-52-6)
Recommended Standards
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- 2-Bromo-4-t-butyl-1-isopropoxybenzene (CAS 223768-39-6)
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