3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-(3-methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile CAS 338399-23-8
| CAS No. | 338399-23-8 |
| Molecular Formula | C16H14ClF3N4O3 |
| Molecular Weight | 402.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-(3-methoxypropyl)-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 402.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
CATO supplies 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-(3-methoxypropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 338399-23-8), a certified reference material (molecular formula C16H14ClF3N4O3, MW 402.76 g/mol) for analytical method development and quality control.
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 | C16H14ClF3N4O3 |
| Molecular Weight | 402.76 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) | 10.0 |
| 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
- 3-Chloro-2-[4-(naphthalene-2-carbonyl)-1H-1,2,3-triazol-1-yl]-5-(trifluoromethyl)pyridine (CAS 478248-73-6)
- 4-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanoyl}-N-[(1E)-(methoxyimino)methyl]-1H-pyrrole-2-carboxamide (CAS 339099-79-5)
- 2-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1H-1,2,4-triazol-1-yl)-3-nitropyridine (CAS 251307-16-1)
- 3-(2-(2-Chloro-4-nitrophenoxy)acetamido)-4-methylbenzene-1-sulfonyl fluoride (CAS 25299-96-1)
- 3-Chloro-2-{3-[(3-nitropyridin-2-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}-5-(trifluoromethyl)pyridine (CAS 251307-21-8)
- 4-(2-(2-Chloro-4-nitrophenoxy)acetamido)-2-methylbenzene-1-sulfonyl fluoride (CAS 25292-73-3)
- 4-Chloro-N'-(3-(trifluoromethyl)quinoxalin-2-yl)benzenesulfonohydrazide (CAS 343372-46-3)
- 5-(2-Chloro-4-methanesulfonylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole (CAS 400089-23-8)
Recommended Standards
- (2Z)-2-[(Z)-Benzoyl]-3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-5-yl}prop-2-enenitrile (CAS 318248-56-5)
- (-)-(S)-5,7-Bis[(tert-butyldimethylsilyl)oxy]-4,4-dimethylheptan-3-one (5S)-5,7-Bis-{[tert-butyldimethylsilyl)oxy]}-4,4-dimethylheptan-3-one 187527-25-9 (CAS 187527-25-9)
- 5-Acetyl-3-allyl-1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)pyrimidine-2,4(1H,3H)-dione (CAS 338399-63-6)
- Ethyl 2-(2-(3-(chloromethyl)benzoyl)hydrazinyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 648859-92-1)
- Ebastine N-Oxide (CAS 1256285-71-8)
- 9-Oxo-10,11-dehydroageraphorone (CAS 79491-71-7)
- 4,7-Dichloro-1,3-benzothiazol-2-amine (CAS 1849-70-3)
- rac 1-Palmitoyl-2-stearoyl-3-chloropropanediol (CAS 1185060-41-6)
- Mivacurium chloride Impurity 40 (CAS CATO-C4X-137540)
- 5-Chloro-1-methylpyrazin-2(1H)-one (CAS 1192838-43-9)
- 6-(Aminomethyl)-2-chloropyridin-3-ol (CAS 1393575-21-7)
- 4-Chloro-2-(difluoromethyl)benzo[d]oxazole (CAS 1806426-94-7)
- 5-Chloro-4-sulfamoylfuran-2-carboxylic acid (CAS 2138426-93-2)
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