3-(Trifluoromethyl)phenyl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate CAS 400084-82-4
| CAS No. | 400084-82-4 |
| Molecular Formula | C20H13Cl2F3N2O3 |
| Molecular Weight | 457.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(Trifluoromethyl)phenyl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate (CAS 400084-82-4) is a high-purity analytical reference standard with the molecular formula C20H13Cl2F3N2O3 and a molecular weight of 457.23 g/mol.
Based on its molecular formula C20H13Cl2F3N2O3, 3-(Trifluoromethyl)phenyl N-{1-[(2,6-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}carbamate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 457.23 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.
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 | C20H13Cl2F3N2O3 |
| Molecular Weight | 457.23 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 | 2 |
Related Trifluoromethyl Standards
- Ethyl 5-(3-(trifluoromethyl)phenoxy)-3-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-6-carboxylate (CAS 338957-80-5)
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- 3-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}phenyl N,N-dimethylsulfamate (CAS 338405-87-1)
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Recommended Standards
- 1-[(2,6-Dichlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyridine-3-carboxamide (CAS 339008-64-9)
- Guanosine Impurity 3 (CAS 117723-13-4)
- (E)-(1-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-imidazol-4-yl}ethylidene)amino 4-chlorobenzoate (CAS 306976-45-4)
- 8-Chloro-5-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one (CAS 303986-22-3)
- Diisobutyl [2,2'-bipyridine]-4,4'-dicarboxylate (CAS 1141011-53-1)
- 4,4-Dimethyl-1-phenylpyrazolidin-3-one (CAS 2654-58-2)
- 2-Ethylnicotinic Acid (CAS 3421-76-9)
- 2-Propenoic acid, 2-methyl-, butyl ester, polymer with ethenylbenzene, 2-ethylhexyl 2-propenoate, 1,2-propanediol mono(2-methyl-2-propenoate), 2-propenamide and 2-propenoic acid (CAS 68541-63-9)
- 3-(Piperidin-4-yl)-1,2,4-oxadiazole hydrochloride (CAS 1384079-72-4)
- 6-Methyl-6-azaspiro[2.5]octane-1-carboxylic acid hydrochloride (CAS 2230913-21-8)
- 2-Phenylpiperidin-3-amine (CAS 58373-46-9)
- N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylbutanamide (CAS 626209-94-7)
- 4-(Acetyloxy)-3,5-diiodobenzoic acid (CAS 41072-98-4)
- Liraglutide(3-31)TFA Salt (CAS CATO-C4X-19921)
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