3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile CAS 338399-22-7
| CAS No. | 338399-22-7 |
| Molecular Formula | C19H11Cl2F3N4O2 |
| Molecular Weight | 455.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 455.22 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 338399-22-7), molecular formula C19H11Cl2F3N4O2 and molecular weight 455.22 g/mol, is a CATO reference standard with documented purity and traceability.
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.
CATO manufactures 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C19H11Cl2F3N4O2 |
| Molecular Weight | 455.22 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related chloro Standards
- N-(3-chloro-4-methylphenyl)-2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)acetamide (CAS 866017-70-1)
- N-(4-chloro-2-methylphenyl)-2-(N-(2-chloro-5-(trifluoromethyl)phenyl)methylsulfonamido)acetamide (CAS 339018-85-8)
- 1-{[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-(2-fluorophenyl)piperazine (CAS 861212-36-4)
- 4-Chloro-N-(1-(4-ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)ethyl)benzenesulfonamide (CAS 338954-01-1)
- 2-(4-(5-Chloro-2-methylphenyl)piperazin-1-yl)-7-(3-fluorophenyl)thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1251599-14-0)
- 1-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-3,3-dimethylbutan-2-one (CAS 680217-04-3)
- 2-Chloro-1,5-bis(m-tolyloxy)anthracene-9,10-dione (CAS 61601-43-2)
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Recommended Standards
- 5-(3-Ethoxy-4-((2-fluorobenzyl)oxy)-5-iodophenyl)-1,3,4-oxadiazol-2-amine (CAS 1706445-07-9)
- 2-(2-Ethoxy-4-formyl-6-iodophenoxy)-N-(2-methoxyphenyl)acetamide (CAS 832673-61-7)
- 5-(3-Ethoxy-4-((4-fluorobenzyl)oxy)-5-iodophenyl)-1,3,4-oxadiazol-2-amine (CAS 1706445-06-8)
- 3-Iodo-5-methoxy-4-(2-oxo-2-(phenethylamino)ethoxy)benzoic acid (CAS 709003-72-5)
- 4-Chloro-3-vinylpyridine (CAS 223573-95-3)
- (5-Chloro-1-methyl-3-phenyl-1H-pyrazole-4-carbonyl)glycine (CAS 956205-91-7)
- Racemic Tiagabine Hydrochloride Mixture (F0E179) (CAS 109857-71-8)
- 2-Hydroxy-5-iodo-3-methoxybenzaldehyde (CAS 7359-14-0)
- 4-(Chloromethyl)-2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole (CAS 955976-93-9)
- <SC>L-</SC>Malic acid disodium salt (CAS 138-09-0)
- 2-Amino-4-(difluoromethyl)-6-methylnicotinaldehyde (CAS 1805220-06-7)
- 7-Methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CAS 1854-41-7)
- 3-(Pyrazin-2-yl)prop-2-yn-1-ol (CAS 1175087-43-0)
- Des-Lys16-Tirzepatide (CAS CATO-CPTD788957)
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