5-(Trifluoromethyl)-2-((5-(trifluoromethyl)benzo[d]oxazol-2-yl)thio)benzo[d]oxazole-4(5H)-thione CAS 13451-80-4
| CAS No. | 13451-80-4 |
| Molecular Formula | C16H6F6N2O2S2 |
| Molecular Weight | 436.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C16H6F6N2O2S2, 5-(Trifluoromethyl)-2-((5-(trifluoromethyl)benzo[d]oxazol-2-yl)thio)benzo[d]oxazole-4(5H)-thione contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 436.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
CATO supplies 5-(Trifluoromethyl)-2-((5-(trifluoromethyl)benzo[d]oxazol-2-yl)thio)benzo[d]oxazole-4(5H)-thione (CAS 13451-80-4), a certified reference material (molecular formula C16H6F6N2O2S2, MW 436.35 g/mol) for analytical method development and quality control.
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 | C16H6F6N2O2S2 |
| Molecular Weight | 436.35 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1960 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
- Ethyl N-(tert-butoxycarbonyl)-S-(2-(3,4-dichlorophenyl)-2-oxoethyl)cysteinate (CAS 1101164-92-4)
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- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-1H-pyrazole (CAS 2088458-40-4)
- Benzyl 1-oxo-2,3-dihydro-1H-spiro[isoquinoline-4,4'-piperidine]-1'-carboxylate (CAS 1330763-54-6)
- 4-cyclopropyl-2-hydroxy-6-methylpyridine-3-carbonitrile (CAS 1346575-96-9)
- Bufotenine hydrochloride (CAS 55206-22-9)
- Tert-butyl 3-(hydroxyimino)pyrrolidine-1-carboxylate (CAS 150008-25-6)
- Tert-butyl (4,6-dimethylbenzo[d]isoxazol-3-yl)carbamate (CAS 1344704-47-7)
- 1,4-Dibromo-2-isopropylbenzene (CAS 58683-74-2)
- 3-Amino-N-(pyridin-2-ylmethyl)propanamide (CAS 938515-13-0)
- 2-tert-butyl 5-ethyl 7-oxo-2,6-diazaspiro[3.4]octane-2,5-dicarboxylate (CAS 1357351-87-1)
- 5-Amino-1-(3-fluoro-2-methylphenyl)-1H-pyrazole-4-carbonitrile (CAS 1159678-33-7)
- Des-Gly29,30-Tirzepatide (CAS CATO-CPTD788944)
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