2-((4-(2,4-Dichlorophenethyl)pyrimidin-2-yl)thio)-1-(p-tolyl)ethan-1-one CAS 866039-11-4
| CAS No. | 866039-11-4 |
| Molecular Formula | C21H18Cl2N2OS |
| Molecular Weight | 417.35 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.
2-((4-(2,4-Dichlorophenethyl)pyrimidin-2-yl)thio)-1-(p-tolyl)ethan-1-one (CAS 866039-11-4) is a high-purity analytical reference standard with the molecular formula C21H18Cl2N2OS and a molecular weight of 417.35 g/mol.
Based on its molecular formula C21H18Cl2N2OS, 2-((4-(2,4-Dichlorophenethyl)pyrimidin-2-yl)thio)-1-(p-tolyl)ethan-1-one contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 417.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C21H18Cl2N2OS |
| Molecular Weight | 417.35 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- tert-Butyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)-7-azaspiro[3.5]nonane-7-carboxylate (CAS 2304635-20-7)
- n-(1-(4-Chlorophenyl)propyl)butan-2-amine (CAS 1019500-71-0)
- (2E)-2,5,6,7,8,9-Hexahydro-2-(phenylmethylene)-3H-imidazo[1,2-a]azepin-3-one (CAS 1321895-49-1)
- Ethyl 2-((7-(2-methoxyethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate (CAS 333768-99-3)
- (2-Amino-3-(3-(trifluoromethyl)phenyl)pyridin-4-yl)methanol (CAS 1261884-06-3)
- 1-(4-Methylphenoxy)propan-2-amine (CAS 61711-87-3)
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- 2-(4-Ethoxyphenyl)-4-oxo-4H-chromen-3-yl 4-bromobenzene-1-sulfonate (CAS 298217-83-1)
- Semaglutide impurity 22(OtBu-Ste-γGlu(OtBu)-AEEA-AEEA-OH) (CAS 1118767-16-0)
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