N-(2-bromo-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide CAS 439097-02-6
| CAS No. | 439097-02-6 |
| Molecular Formula | C13H11BrF3NO4 |
| Molecular Weight | 382.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(2-bromo-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide (C13H11BrF3NO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies N-(2-bromo-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide (CAS 439097-02-6), a certified reference material (molecular formula C13H11BrF3NO4, MW 382.13 g/mol) for analytical method development and quality control.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), N-(2-bromo-5,6-dimethoxy-3-oxo-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide 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.
Physical & Chemical Properties
| Molecular Formula | C13H11BrF3NO4 |
| Molecular Weight | 382.13 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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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- 5-((4-Bromo-2-fluorophenyl)amino)-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylic acid (CAS 1415564-99-6)
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Recommended Standards
- 2-(4-Fluorophenyl)-5-iodopyrazolo[1,5-a]pyridine-3-carboxylic acid (CAS 1956371-52-0)
- N-(3,4-Dichlorophenyl)-2-(2,3,5,6-tetrafluoro-4-methylphenyl)-1-hydrazinecarboxamide (CAS 1024357-21-8)
- 2,2,2-Trifluoroethyl perfluorobutanesulphonat (CAS 79963-95-4)
- 2-[4-(Trifluoromethoxy)phenoxy]pyrimidine-5-boronic Acid Pinacol Ester (CAS 1599467-81-8)
- 1-Allyl-4-bromo-2,3,5,6-tetrafluorobenzene (CAS 1350637-17-0)
- 3,6-Dichloro-2-methylpyridine (CAS 123280-64-8)
- 2-(4-Chlorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CAS 338964-55-9)
- 4-Nitrotoluene (CAS 99-99-0)
- 5-Chloro-3-iodo-1-methyl-1H-indazole (CAS 1260853-69-7)
- 4-Chloro-6-methoxy-2-(trifluoromethyl)quinoline (CAS 1701-27-5)
- N-{[4-(Dimethylamino)phenyl]methylene}-3-phenyl-1H-indole-2-carbohydrazide (CAS 338748-83-7)
- 752190-79-7 (~13~C_4_)Butanoic acid DTXSID80583922 (CAS 752190-79-7)
- Alectinib Impurity 33 ·xHCl (CAS 1256698-42-6(free base))
- Semaglutide impurity 109 (CAS CATO-C4X-2226109)
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