4-(4-chlorophenyl)-2-(ethylsulfonyl)-6-(trifluoromethyl)pyrimidine CAS 866480-77-5
| CAS No. | 866480-77-5 |
| Molecular Formula | C13H10ClF3N2O2S |
| Molecular Weight | 350.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 350.74 g/mol gives 4-(4-chlorophenyl)-2-(ethylsulfonyl)-6-(trifluoromethyl)pyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(4-chlorophenyl)-2-(ethylsulfonyl)-6-(trifluoromethyl)pyrimidine (CAS 866480-77-5), molecular formula C13H10ClF3N2O2S and molecular weight 350.74 g/mol, is a CATO reference standard with documented purity and traceability.
4-(4-chlorophenyl)-2-(ethylsulfonyl)-6-(trifluoromethyl)pyrimidine (C13H10ClF3N2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H10ClF3N2O2S |
| Molecular Weight | 350.74 g/mol |
| 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.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- N-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-4-methylbenzenesulfonamide (CAS 338397-27-6)
- 1-Bromo-4-(1,1,1-trifluoropropan-2-yl)benzene (CAS 1510495-71-2)
- Methyl 4-(bis(trimethylsilyl)amino)but-2-ynoate (CAS 112561-10-1)
- (3-Methyl-1H-indazol-7-yl)methanol (CAS 1638764-81-4)
- (S)-Ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate (CAS 152754-46-6)
- 1-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]ethan-1-one (CAS 66158-68-7)
- 4-Benzylbenzo[d]thiazol-2-amine (CAS 1152504-14-7)
- 2-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)acetic acid (CAS 32710-88-6)
- 3-(3-Chlorophenyl)-3-fluoropyrrolidine hydrochloride (CAS 1803592-61-1)
- (1R,2S,3R)-3-(6-Amino-9H-purin-9-yl)cyclopentane-1,2-diol (CAS 125409-63-4)
- (Tyr?)-C-Peptide (human) (CAS 57327-90-9)
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