1-(4-Chlorophenyl)-3-(4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl)urea CAS 338395-49-6
| CAS No. | 338395-49-6 |
| Molecular Formula | C18H12Cl3N3O2 |
| Molecular Weight | 408.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(4-Chlorophenyl)-3-(4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl)urea is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(4-Chlorophenyl)-3-(4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl)urea (CAS 338395-49-6) is a high-purity analytical reference standard with the molecular formula C18H12Cl3N3O2 and a molecular weight of 408.67 g/mol.
1-(4-Chlorophenyl)-3-(4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl)urea (C18H12Cl3N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C18H12Cl3N3O2 |
| Molecular Weight | 408.67 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- (2S,6R)-2,6-dimethyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)morpholine (CAS 1684430-48-5)
- rac-2-{4-[(3R,4R)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidin-3-yl]-1H-1,2,3-triazol-1-yl}acetic acid (CAS 1989638-26-7)
- Ethyl 5-(2-Pyridyl)-1H-pyrrole-3-carboxylate (CAS 881674-09-5)
- Liraglutide Impurity 17 TFA Salt (CAS CATO-C4X-199217)
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