1-(3-Chloro-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile CAS 400079-36-9
| CAS No. | 400079-36-9 |
| Molecular Formula | C17H8ClF3N4O3 |
| Molecular Weight | 408.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(3-Chloro-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 400079-36-9), molecular formula C17H8ClF3N4O3 and molecular weight 408.72 g/mol, is a CATO reference standard with documented purity and traceability.
1-(3-Chloro-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (C17H8ClF3N4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 1-(3-Chloro-4-((5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-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 | C17H8ClF3N4O3 |
| Molecular Weight | 408.72 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
- 3-Chloro-5-(trifluoromethyl)-N-(2-(5-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethyl)pyridin-2-amine (CAS 478262-26-9)
- 4-Chloro-2-iodo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[3,2-c]pyridine (CAS 2792126-10-2)
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-(3-(trifluoromethyl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 343373-37-5)
- (7-Chloro-9,9-dicyclohexyl-9H-fluoren-2-yl)boronic acid (CAS 851119-07-8)
- N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-(3,4-dichlorobenzyl)acetamide (CAS 866157-73-5)
- 1-((2-Chloro-4-nitrophenyl)amino)-5-methoxyanthracene-9,10-dione (CAS 62322-92-3)
- 2-Chloro-N-(2-methyl-5-(oxazolo[4,5-b]pyridin-2-yl)phenyl)-5-nitrobenzamide (CAS 309737-80-2)
- 5-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine (CAS 1429906-48-8)
Recommended Standards
- (S)-5-(5-Bromo-2,3-dihydrobenzofuran-7-yl)-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol (CAS 150490-85-0)
- N-(2-bromophenyl)-2-(4-(3-chlorophenyl)piperazin-1-yl)acetamide (CAS 797775-73-6)
- 2,3,6-Tribromo-5-(bromomethyl)pyridine (CAS 58596-52-4)
- N-(4-Bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide (CAS 329779-06-8)
- 3-Hydroxy-2-phenylquinolin-4(1H)-one (CAS 31588-18-8)
- 4-Hydroxy-2-phenylbutanoic acid (CAS 6837-26-9)
- Dl-methioninesulfoxide (CAS 454-41-1)
- 3-Acetylbenzoic acid Acetophenone-3-carboxylic acid hypnone-m-carboxylic acid benzoyl methide-m-carboxylic acid m-Acetylbenzoic acid methyl phenyl ketone-m-carboxylic acid 586-42-5 (CAS 586-42-5)
- SB-699551A (free base) (CAS 791789-61-2)
- 2-(4-Bromo-2-methylphenoxy)-N-ethylacetamide (CAS 667874-04-6)
- N-(4,5,6,7-Tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide hydrochloride (CAS 1209492-78-3)
- 2-Fluoro-3-methoxy-4-nitroaniline (CAS 2091910-19-7)
- 4-Methyl-N-(3-(2-phenylmorpholino)propyl)benzenesulfonamide (CAS 954049-24-2)
- Des-Leu14-Tirzepatide (CAS CATO-CPTD788959)
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