1-(2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile CAS 338773-03-8
| CAS No. | 338773-03-8 |
| Molecular Formula | C22H15ClF6N6O2 |
| Molecular Weight | 544.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile.
1-(2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 338773-03-8), molecular formula C22H15ClF6N6O2 and molecular weight 544.84 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C22H15ClF6N6O2, 1-(2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile 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 544.84 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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.
As a certified reference material (CRM), 1-(2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H15ClF6N6O2 |
| Molecular Weight | 544.84 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 6 |
Related Chloro Standards
- 7-(3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-1H-1,2,4-triazol-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CAS 303151-86-2)
- N-(2-Chloro-4,6-dimethylphenyl)-2-((3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 477313-42-1)
- N-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carbonothioyl)-3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamide (CAS 303150-16-5)
- N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}acetamide (CAS 477853-88-6)
- Methyl 6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(4-chlorophenyl)carbamoyl]amino}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate (CAS 321430-32-4)
- 4-(5-Chloro-1-(3-chlorophenyl)-6-oxo-1,6-dihydropyridazin-4-yl)-N-(2-cyano-4,5-dimethoxyphenyl)piperazine-1-carbothioamide (CAS 477867-42-8)
- Chloro{(1R,2R)-1,2-diphenyl-1-[(3-(η6-phenyl)propyl)amino]-2-(methylsulfonylamido)}ruthenium(II) (CAS 1361415-88-4)
- Chloro{(1S,2S)-1,2-diphenyl-1-[(3-(η6-phenyl)propyl)amino]-2-(methylsulfonylamido)}ruthenium(II) (CAS 1437326-26-5)
Recommended Standards
- Afoxolaner impurity 8 (CAS CATO-C4X-31378)
- (1α,3R,4α,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-4-(1H-imidazol-1-ylthioxomethoxy)-cyclohexanecarboxylic Acid Methyl Ester (CAS 139356-32-4)
- Tetrabenzylthiuram Disulfide (CAS 10591-85-2)
- (S)-1-(Benzyloxy)-3-(3,4-bis((tert-butyldimethylsilyl)oxy)phenyl)propan-2-yl acetate (CAS 1235828-02-0)
- (R)-2-[cis-4-(6-Fluoro-4-quinolyl)cyclohexyl]propanoic Acid (CAS 1923836-34-3)
- Methyl 1-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS 1011398-02-9)
- 1-(2-Fluoro-6-methoxyphenyl)piperazine (CAS 113028-78-7)
- 3-(Methylsulfonyl)piperidin-4-amine (CAS 402927-97-5)
- Pazopanib Impurity 65 (CAS CATO-C4X-172565)
- (S)-3-Ethyl-4-methylpentan-1-ol (CAS 100431-87-6)
- 3-(2,4-Difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine (CAS 918873-82-2)
- 5,8-Difluoroquinoline-2-carbaldehyde (CAS 1266835-21-5)
- 4-Amino-5-(3-isopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1093613-09-2)
- Semaglutide Impurity 21(HO-Ste-L-γGlu-AEEA-AEEA-OH) (CAS 1335440-44-2)
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