N-(4-bromophenyl)-2-(1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl)-2-oxoacetamide CAS 860610-37-3
| CAS No. | 860610-37-3 |
| Molecular Formula | C18H11BrClN3O4 |
| Molecular Weight | 448.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 448.65 g/mol gives N-(4-bromophenyl)-2-(1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl)-2-oxoacetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-(4-bromophenyl)-2-(1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl)-2-oxoacetamide (CAS 860610-37-3) is a high-purity analytical reference standard with the molecular formula C18H11BrClN3O4 and a molecular weight of 448.65 g/mol.
Structurally, N-(4-bromophenyl)-2-(1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl)-2-oxoacetamide (C18H11BrClN3O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 448.65 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H11BrClN3O4 |
| Molecular Weight | 448.65 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 3 |
Related N Standards
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- N-tert-Butyl-2-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 2365191-41-7)
- Diethanolamine, for analysis, EMSURE® hydrochloride (CAS 14426-21-2)
- 5-Bromo-1-ethyl-1H-benzo[d]imidazole (CAS 23073-51-0)
- 1-Dehydroaldosterone (CAS 76959-24-5)
- (S)-2-Amino-N-(2,5-dichlorobenzyl)-N-ethylpropanamide (CAS 1354009-48-5)
- 3-(Cyclopropylsulfonyl)pyrazolo[1,5-a]pyrimidin-6-amine (CAS 1707603-34-6)
- Hexanedioic acid, polymer with N1-(2-aminoethyl)-1,2-ethanediamine and 2-(chloromethyl)oxirane, octadecanoate (salt) (CAS 71608-55-4)
- Semaglutide Sodium Salt (CAS CATO-C4X-222620)
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