3-(trifluoromethyl)-1,2,4-oxadiazole-5-carboxylic acid CAS 944896-48-4
| CAS No. | 944896-48-4 |
| Molecular Formula | C4H5F3N2O3 |
| Molecular Weight | 186.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(trifluoromethyl)-1,2,4-oxadiazole-5-carboxylic acid (CAS 944896-48-4), molecular formula C4H5F3N2O3 and molecular weight 186.09 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C4H5F3N2O3, 3-(trifluoromethyl)-1,2,4-oxadiazole-5-carboxylic acid contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 186.09 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C4H5F3N2O3 |
| Molecular Weight | 186.09 g/mol |
| 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 | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related trifluoromethyl Standards
- 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid (CAS 944898-06-0)
- 4-(Trifluoromethyl)-1H-indazole (CAS 1000339-98-9)
- 2-(3-(Trifluoromethyl)pyridin-2-yl)acetonitrile (CAS 1000512-60-6)
- 2-(Trifluoromethyl)pyridine-3-acetonitrile (CAS 1000529-97-4)
- 2-(4-(Trifluoromethyl)pyridin-2-yl)acetonitrile (CAS 1000536-10-6)
- 2-(6-(Trifluoromethyl)pyridin-2-yl)acetonitrile (CAS 1000564-90-8)
- 3-(Trifluoromethyl)pyridine-5-acetonitrile (CAS 1000565-50-3)
- 4-(Trifluoromethyl)benzofuran (CAS 1065076-52-9)
Recommended Standards
- 2-(2,2,2-trifluoroethyl)propanedioic acid (CAS 99783-24-1)
- 4-Methoxybenzeneselenol (CAS 37773-20-9)
- [1,1'-Biphenyl]-2,5-dicarboxylic acid (CAS 4445-51-6)
- methyl 2,2,2-trifluoroethyl oxalate (CAS 1803562-29-9)
- 3,5-Dibromo-1-(2,2,2-trifluoroethyl)-1H-[1,2,4]triazole (CAS 1855668-60-8)
- 6-Morpholino-[1,1'-biphenyl]-3-amine (CAS 1187929-69-6)
- 1-((3-Fluorobenzyl)sulfonyl)piperidin-4-yl (3-fluorophenyl)methanesulfonate (CAS 1420894-13-8)
- 5-Hydroxy-3-methylpicolinic acid (CAS 1211542-19-6)
- (4-Ethylpiperazin-1-yl)(tetrahydrofuran-2-yl)methanone (CAS 545373-12-4)
- (3aS,3a'S,8aR,8a'R)-2,2'-Cyclohexylidenebis[8,8a-dihydro-3aH-indeno[1,2-d]oxazole] (CAS 182122-13-0)
- 4-Methoxy-2-methylquinolin-8-amine (CAS 91350-35-5)
- Ethyl 3-(1,3-dioxolan-2-yl)picolinate (CAS 1423757-75-8)
- tert-Butyl (3-chloro-5-(chloromethyl)pyridin-2-yl)carbamate (CAS 1393573-12-0)
- D-Thr5-Tirzepatide (CAS CATO-CPTD788926)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com