(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(2,6-difluoro-3-nitrophenyl)methanone CAS 918520-16-8
| CAS No. | 918520-16-8 |
| Molecular Formula | C14H6BrF2N3O3 |
| Molecular Weight | 382.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of (5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(2,6-difluoro-3-nitrophenyl)methanone (C14H6BrF2N3O3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(2,6-difluoro-3-nitrophenyl)methanone (CAS 918520-16-8), molecular formula C14H6BrF2N3O3 and molecular weight 382.12 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C14H6BrF2N3O3 |
| Molecular Weight | 382.12 g/mol |
| Appearance | Pale yellow to 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- 2,6-Dichloroanisole (CAS 1984-65-2)
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- 1-azabicyclo[3.2.1]octan-4-one (CAS 17604-77-2)
- 2-(2,4,6-Trimethylbenzyl)butanoic acid (CAS 1247527-94-1)
- 5-Fluoro-2-(N-morpholino)phenol (CAS 1171917-67-1)
- Diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate (CAS 904304-88-7)
- Benazepril Impurity 2 (CAS 105260-10-4)
- (Z)-1-Chloro-2-(3-chloro-2-(4-fluorophenyl)-prop-1-en-1-yl)benzene (CAS 133001-05-5)
- 4-Isopropylbenzo[d][1,3]dioxole (CAS 16477-39-7)
- Cholecystokinin Octapeptide (1-3) (desulfated) H-Asp-Tyr-Met-OH (CAS 121880-94-2)
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