Methyl 2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate CAS 855316-19-7
| CAS No. | 855316-19-7 |
| Molecular Formula | C14H10ClF3N2O4 |
| Molecular Weight | 362.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Methyl 2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate (C14H10ClF3N2O4) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies Methyl 2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)benzoate (CAS 855316-19-7), a certified reference material (molecular formula C14H10ClF3N2O4, MW 362.69 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C14H10ClF3N2O4 |
| Molecular Weight | 362.69 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- Methyl 2-chloro-5-(3-(difluoromethyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-4-fluorobenzoate (CAS 120890-11-1)
- 5-Acetyl-1-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)pyrimidine-2,4(1H,3H)-dione (CAS 338399-19-2)
- Methyl 6-chloro-3-(2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)-2-methylbenzoate (CAS 355390-15-7)
- 3-Chloro-2-(5-(methylthio)-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (CAS 1823182-83-7)
- 5-Chloro-1-(tetrahydro-2H-pyran-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS 2072808-93-4)
- 3-(4-Chloro-3-isopropoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione (CAS 133762-96-6)
- (4E)-1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(dimethylamino)methylidene]-3-ethoxy-4,5-dihydro-1H-pyrazol-5-one (CAS 338420-92-1)
- 5-(((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)methyl)-N-cyclopropyl-4,5-dihydroisoxazole-3-carboxamide (CAS 338399-52-3)
Recommended Standards
- Methyl (E)-3-(2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)hydrazono)-2-(1H-1,2,4-triazol-1-yl)propanoate (CAS 551930-85-9)
- N'1-(2-chloroacetyl)-2-{5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetraazol-2-yl}ethanohydrazide (CAS 680214-91-9)
- 4,4-Dihexyl-4H-silolo[3,2-b:4,5-b']dithiophene (CAS 906372-08-5)
- [1,2-Ethanediylbis[dimethylphosphine-κP]]methyl(4-methylphenyl)palladium (CAS 680621-10-7)
- 4-(1H-Benzo[d]imidazol-2-yl)-N-(thiophen-2-yl)piperidine-1-carboxamide (CAS 1203194-42-6)
- Ethyl 5-hydroxyoxane-2-carboxylate (CAS 110407-58-4)
- N-(4-chlorophenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide (CAS 478041-50-8)
- 4-((2-Methyl-1H-imidazol-1-yl)methyl)benzoic acid (CAS 192637-18-6)
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- 1-Benzyl-3,6-dimethyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 937597-56-3)
- 1-(5-(2-Amino-4-chlorophenyl)furan-2-yl)ethan-1-one (CAS 886494-58-2)
- 3-Bromo-5-(1-t-Boc-piperidin-4-yl)methoxyphenylboronic acid (CAS 2096331-52-9)
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