5-Methyl-4-((3-(trifluoromethyl)phenyl)carbamoyl)isoxazole-3-carboxylic acid CAS 339012-83-8
| CAS No. | 339012-83-8 |
| Molecular Formula | C13H9F3N2O4 |
| Molecular Weight | 314.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 314.22 g/mol gives 5-Methyl-4-((3-(trifluoromethyl)phenyl)carbamoyl)isoxazole-3-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Methyl-4-((3-(trifluoromethyl)phenyl)carbamoyl)isoxazole-3-carboxylic acid (CAS 339012-83-8) is a high-purity analytical reference standard with the molecular formula C13H9F3N2O4 and a molecular weight of 314.22 g/mol.
Based on its molecular formula C13H9F3N2O4, 5-Methyl-4-((3-(trifluoromethyl)phenyl)carbamoyl)isoxazole-3-carboxylic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 314.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 5-Methyl-4-((3-(trifluoromethyl)phenyl)carbamoyl)isoxazole-3-carboxylic acid 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 | C13H9F3N2O4 |
| Molecular Weight | 314.22 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 5-Methyl-4-((4-(trifluoromethyl)phenyl)carbamoyl)isoxazole-3-carboxylic acid (CAS 134888-93-0)
- 1,2-Bis(4-(trifluoromethyl)phenyl)ethyne (CAS 119757-51-6)
- 4-(3,5-Bis(trifluoromethyl)phenyl)-4-oxobutanoic acid (CAS 898788-04-0)
- 2-((4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid (CAS 506418-83-3)
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- 2-{[3-(Trifluoromethyl)benzyl]oxy}benzoyl chloride (CAS 1160260-62-7)
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- 632366-17-7 4-{[3-(Trifluoromethyl)benzyl]oxy}benzoyl chloride MFCD12198030 (CAS 632366-17-7)
Recommended Standards
- 4-Bromo-1-[2-(Boc-amino)-2-propyl]benzene (CAS 214973-83-8)
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- 2-Methyl-4-[(4-nitroanilino)methylene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 320425-08-9)
- Tert-butyl (1-(4-bromophenyl)propan-2-yl)carbamate (CAS 256381-00-7)
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- Travoprost Enantiomer (CAS 340181-93-3)
- 5-(4-Chlorophenyl)-5-oxopentanoic acid (CAS 36978-49-1)
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- Letermovir Impurity 93 (CAS CATO-C4X-291593)
- 1-(2-Aminoethyl)piperidine-4-carboxamide (CAS 443897-95-8)
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- Semaglutide Impurity 5 (CAS 23406-82-8)
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