5-Bromo-3-(2-(4-fluorophenyl)-2-oxoethylidene)indolin-2-one CAS 601487-96-1
| CAS No. | 601487-96-1 |
| Molecular Formula | C16H9BrFNO2 |
| Molecular Weight | 346.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Bromo-3-(2-(4-fluorophenyl)-2-oxoethylidene)indolin-2-one.
5-Bromo-3-(2-(4-fluorophenyl)-2-oxoethylidene)indolin-2-one (CAS 601487-96-1) is a high-purity analytical reference standard with the molecular formula C16H9BrFNO2 and a molecular weight of 346.15 g/mol.
Based on its molecular formula C16H9BrFNO2, 5-Bromo-3-(2-(4-fluorophenyl)-2-oxoethylidene)indolin-2-one 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 346.15 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
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 | C16H9BrFNO2 |
| Molecular Weight | 346.15 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 |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1985 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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- 4-Bromo-5-chloro-2-fluorobenzaldehyde (CAS 1603584-72-0)
- 2,2-Difluoro-N-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CAS 338792-11-3)
- (3S,7aR)-3-Phenyl-1,7a-dihydropyrrolo[1,2-c]oxazol-5(3H)-one (CAS 118867-99-5)
- 3-(4-Nitrophenyl)-2-thioxothiazolidin-4-one (CAS 20950-13-4)
- Tirzepatide Impurity 33 (CAS CATO-C4X-324033)
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