2-(2-cyano-3-fluoroanilino)ethyl N-(1,2,2-trichlorovinyl)carbamate CAS 647824-11-1
| CAS No. | 647824-11-1 |
| Molecular Formula | C12H9Cl3FN3O2 |
| Molecular Weight | 352.58 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.
CATO supplies 2-(2-cyano-3-fluoroanilino)ethyl N-(1,2,2-trichlorovinyl)carbamate (CAS 647824-11-1), a certified reference material (molecular formula C12H9Cl3FN3O2, MW 352.58 g/mol) for analytical method development and quality control.
The molecular framework of 2-(2-cyano-3-fluoroanilino)ethyl N-(1,2,2-trichlorovinyl)carbamate (C12H9Cl3FN3O2) 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. 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 | C12H9Cl3FN3O2 |
| Molecular Weight | 352.58 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
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- 5139-89-9 4-Phenoxybutyryl chloride EINECS 225-903-9 (CAS 5139-89-9)
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- Semaglutide impurity 261 (CAS CATO-C4X-2226261)
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