3-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-[3-(trifluoromethyl)phenyl]urea CAS 400084-72-2
| CAS No. | 400084-72-2 |
| Molecular Formula | C20H14Cl2F3N3O2 |
| Molecular Weight | 456.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-[3-(trifluoromethyl)phenyl]urea is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-[3-(trifluoromethyl)phenyl]urea (CAS 400084-72-2) is a high-purity analytical reference standard with the molecular formula C20H14Cl2F3N3O2 and a molecular weight of 456.25 g/mol.
Structurally, 3-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-[3-(trifluoromethyl)phenyl]urea (C20H14Cl2F3N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 456.25 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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 | C20H14Cl2F3N3O2 |
| Molecular Weight | 456.25 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 | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related dichlorophenyl Standards
- 3-{1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-[3-(trifluoromethyl)phenyl]urea (CAS 338755-47-8)
- 3-((3,5-Dichlorophenyl)sulfonyl)-2-hydroxy-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide (CAS 338956-21-1)
- 3-(3,5-Dichlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid (CAS 1699437-86-9)
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- N-(2,3-Dichlorophenyl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332376-22-4)
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- 1-[(2,4-Dichlorophenyl)methyl]-3'-phenyl-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione (CAS 338418-91-0)
Recommended Standards
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- Allyl 3-ethoxy-4-((2-fluorobenzyl)oxy)-5-iodobenzoate (CAS 1706439-35-1)
- Gefarnate (CAS 51-77-4)
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- (R)-2-(1-Hydroxypropan-2-yl)isoindoline-1,3-dione (CAS 73323-91-8)
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- 4-(Non-8-en-1-yloxy)benzoic acid (CAS 115595-30-7)
- Biotinyl-Glucagon (1-29) (human, rat, porcine) trifluoroacetate salt (CAS 1802086-28-7)
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