(2E)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}but-2-en-1-yl N-(4-chlorophenyl)carbamate CAS 338772-85-3
| CAS No. | 338772-85-3 |
| Molecular Formula | C17H13Cl2F3N2O3 |
| Molecular Weight | 421.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(2E)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}but-2-en-1-yl N-(4-chlorophenyl)carbamate (CAS 338772-85-3), molecular formula C17H13Cl2F3N2O3 and molecular weight 421.20 g/mol, is a CATO reference standard with documented purity and traceability.
(2E)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}but-2-en-1-yl N-(4-chlorophenyl)carbamate (C17H13Cl2F3N2O3) 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C17H13Cl2F3N2O3 |
| Molecular Weight | 421.20 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 | 2 |
Related E Standards
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Recommended Standards
- ((2R,3R,4R,5R)-3-Acetoxy-5-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-methoxytetrahydrofuran-2-yl)methyl acetate (CAS 1188522-81-7)
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- Fluralaner Impurity N1 (CAS 1095275-07-2)
- 1-Methyl-2-(tributylstannyl)-1H-benzo[d]imidazole (CAS 1309981-10-9)
- 2-Oxa-7-azaspiro[4.4]nonan-1-one hydrochloride (CAS 1803606-19-0)
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- Tert-butyl (2-amino-1-(1-methyl-1h-imidazol-5-yl)ethyl)carbamate (CAS 1496921-55-1)
- Methyl 2-acetamido-3-cyano-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate (CAS 886952-80-3)
- Methyl 3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (CAS 1448862-62-1)
- 2-Butoxy-3,5-dichloropyridine (CAS 1692870-49-7)
- n-(Prop-2-yn-1-yl)methanesulfonamide (CAS 93501-84-9)
- D-Arabino-2-Hexulosonic acid calcium salt dihydrate (CAS 304655-85-4)
- Pancreatic Polypeptide (human) trifluoroacetate salt (CAS 75976-10-2)
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