Ethyl 2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-2,2-difluoroacetate CAS 478043-86-6
| CAS No. | 478043-86-6 |
| Molecular Formula | C10H7ClF5NO2S |
| Molecular Weight | 335.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-2,2-difluoroacetate (CAS 478043-86-6), molecular formula C10H7ClF5NO2S and molecular weight 335.68 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-2,2-difluoroacetate (C10H7ClF5NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 335.68 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), Ethyl 2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-2,2-difluoroacetate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C10H7ClF5NO2S |
| Molecular Weight | 335.68 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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