2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide CAS 489414-77-9
| CAS No. | 489414-77-9 |
| Molecular Formula | C17H9ClF6N4O3S |
| Molecular Weight | 498.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide (CAS 489414-77-9) is a high-purity analytical reference standard with the molecular formula C17H9ClF6N4O3S and a molecular weight of 498.79 g/mol.
Based on its molecular formula C17H9ClF6N4O3S, 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 498.79 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.
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 | C17H9ClF6N4O3S |
| Molecular Weight | 498.79 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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- 1-(3-(Aminomethyl)tetrahydrofuran-3-yl)butan-1-ol (CAS 1508538-59-7)
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- seco-(8,9)-Buspirone Carboxylic Acid (CAS 257877-46-6)
- Tau Peptide (277-291) trifluoroacetate salt (CAS 330456-40-1)
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