| CAS No. | 453557-86-3 |
| Molecular Formula | C13H7BrCl3NO2 |
| Molecular Weight | 395.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(4-(3-Bromobenzoyl)-1H-pyrrol-2-yl)-2,2,2-trichloroethanone.
CATO supplies 1-(4-(3-Bromobenzoyl)-1H-pyrrol-2-yl)-2,2,2-trichloroethanone (CAS 453557-86-3), a certified reference material (molecular formula C13H7BrCl3NO2, MW 395.46 g/mol) for analytical method development and quality control.
Based on its molecular formula C13H7BrCl3NO2, 1-(4-(3-Bromobenzoyl)-1H-pyrrol-2-yl)-2,2,2-trichloroethanone contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 395.46 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C13H7BrCl3NO2 |
| Molecular Weight | 395.46 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |