(Z)-3-((4-chlorophenyl)thio)-4-(dimethylamino)but-3-en-2-one CAS 76511-79-0
| CAS No. | 76511-79-0 |
| Molecular Formula | C12H14ClNOS |
| Molecular Weight | 255.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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 supplies (Z)-3-((4-chlorophenyl)thio)-4-(dimethylamino)but-3-en-2-one (CAS 76511-79-0), a certified reference material (molecular formula C12H14ClNOS, MW 255.76 g/mol) for analytical method development and quality control.
(Z)-3-((4-chlorophenyl)thio)-4-(dimethylamino)but-3-en-2-one (C12H14ClNOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; 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).
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 | C12H14ClNOS |
| Molecular Weight | 255.76 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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- N-Benzyl-4-aminotetrahydropyran (CAS 443344-23-8)
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- Lasofoxifene Impurity 1 (CAS 19155-00-1)
- Insulin Degludec Impurity 10 (CAS CATO-C4X-215710)
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