2-[(4-Chlorophenyl)amino]-6-oxo-4-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidine-5-carbonitrile CAS 1347308-03-5
| CAS No. | 1347308-03-5 |
| Molecular Formula | C18H10ClF3N4O2 |
| Molecular Weight | 406.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 2-[(4-Chlorophenyl)amino]-6-oxo-4-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidine-5-carbonitrile (CAS 1347308-03-5), a certified reference material (molecular formula C18H10ClF3N4O2, MW 406.75 g/mol) for analytical method development and quality control.
Structurally, 2-[(4-Chlorophenyl)amino]-6-oxo-4-[4-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidine-5-carbonitrile (C18H10ClF3N4O2) 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 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 406.75 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 | C18H10ClF3N4O2 |
| Molecular Weight | 406.75 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.) | 1991 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Chlorophenyl Standards
- 2-[(4-Chlorophenyl)amino]-6-oxo-4-[3-(trifluoromethoxy)phenyl]-1,6-dihydropyrimidine-5-carbonitrile (CAS 1348697-80-2)
- 1,1-bis(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]amino}ethan-1-ol 1J-327S 321432-85-3 (CAS 321432-85-3)
- 2-{6-[(4-chlorophenyl)sulfanyl]pyridazin-3-yl}-2-(2,4-dichlorophenyl)acetonitrile (CAS 339026-64-1)
- 4-(4-Chlorophenyl)-2-(5-(2,4-dichlorophenyl)-1H-pyrazol-1-yl)thiazole (CAS 956206-18-1)
- 2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acetamide (CAS 1606975-12-5)
- (E)-{2-[(2-chlorophenyl)methanesulfonyl]-1-(2,4-dichlorophenyl)ethylidene}(methoxy)amine (CAS 338400-69-4)
- 1-[(4-Chlorophenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridine-3-carboxamide (CAS 338782-67-5)
- 1-[(4-Chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]-1,6-dihydropyridine-3-carboxamide (CAS 338782-71-1)
Recommended Standards
- 2-((4-Chlorobenzyl)amino)-1,1-bis(4-chlorophenyl)ethanol (CAS 321432-78-4)
- 15,15-Diethoxy-2,2-dimethyl-3,16-dioxa-2,15-disilaoctadecane (CAS 75389-03-6)
- 11,11'-Disulfanediylbis(undecan-1-ol) (CAS 119438-02-7)
- 1-(8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl)-2,2-difluoro-2-(phenylthio)ethan-1-one (CAS 1823183-27-2)
- 1-(Thiophen-3-yl)piperazin-2-one hydrochloride (CAS 1284243-78-2)
- N-tert-Butyl-2-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CAS 2377610-51-8)
- Strychnine Nitrate (CAS 66-32-0)
- N-(4-Ethylbenzo[d]thiazol-2-yl)-2,3-dimethoxybenzamide (CAS 895444-94-7)
- 6-Bromoisoquinolin-5-amine (CAS 850198-02-6)
- Methotrexate Impurity N6 (CAS 4261-17-0)
- {[4-(2-Methylpropyl)phenyl]methyl}(prop-2-en-1-yl)amine hydrochloride (CAS 1240572-10-4)
- [6-[4-(Trifluoromethoxy)phenyl]-3-pyridyl]methanol (CAS 851069-96-0)
- 6-Mercapto-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS 923784-01-4)
- [Tyr15] Fibrinopeptide B, human (CAS 125455-56-3)
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