Ethyl 3-amino-4-chloro-4,4-difluorobut-2-enoate CAS 136757-13-6
| CAS No. | 136757-13-6 |
| Molecular Formula | C6H8ClF2NO2 |
| Molecular Weight | 199.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 3-amino-4-chloro-4,4-difluorobut-2-enoate (C6H8ClF2NO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. 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.
CATO supplies Ethyl 3-amino-4-chloro-4,4-difluorobut-2-enoate (CAS 136757-13-6), a certified reference material (molecular formula C6H8ClF2NO2, MW 199.58 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 | C6H8ClF2NO2 |
| Molecular Weight | 199.58 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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