(2S)-3-Bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide CAS 113181-02-5
| CAS No. | 113181-02-5 |
| Molecular Formula | C12H10BrF3N2O2 |
| Molecular Weight | 351.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), (2S)-3-Bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
(2S)-3-Bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide (CAS 113181-02-5) is a high-purity analytical reference standard with the molecular formula C12H10BrF3N2O2 and a molecular weight of 351.12 g/mol.
Based on its molecular formula C12H10BrF3N2O2, (2S)-3-Bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 351.12 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.
Physical & Chemical Properties
| Molecular Formula | C12H10BrF3N2O2 |
| Molecular Weight | 351.12 g/mol |
| Appearance | Off-white to pale 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related S Standards
- Ethyl 6-bromo-2-(trifluoromethyl)-2H-chromene-3-carboxylate (CAS 1160474-50-9)
- (R)-3-Bromo-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-methylpropanamide (CAS 206193-17-1)
- Benzyl 3-bromo-5-nitrophenylcarbamate (CAS 1020252-75-8)
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Recommended Standards
- 3-(3,5-dichlorophenoxy)-5-(trifluoromethyl)-2-pyridinecarboxamide 338968-18-6 KS-00003BE6 (CAS 338968-18-6)
- Methyl 3,6-dichloro-5-(trifluoromethyl)-[2,3-bipyridine]-5-carboxylate (CAS 1823183-10-3)
- 4-Chlorobenzyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 175137-30-1)
- 8-Hydroxy-7-iodoquinoline-6-sulfonic acid (CAS 292644-23-6)
- 7-(4-Nitrophenyl)heptanoic acid (CAS 66147-99-7)
- 2-Bromo-4-chloro-1,6-dimethyl-1H-imidazo[4,5-c]pyridine (CAS 870135-18-5)
- N-(5-Fluoro-2-methylphenyl)benzamide (CAS 451-00-3)
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