4-(((4-Chlorobenzyl)thio)methyl)-6-((2,6-dichlorophenyl)thio)-2-(pyridin-2-yl)pyrimidine CAS 338961-03-8
| CAS No. | 338961-03-8 |
| Molecular Formula | C23H16Cl3N3S2 |
| Molecular Weight | 504.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(((4-Chlorobenzyl)thio)methyl)-6-((2,6-dichlorophenyl)thio)-2-(pyridin-2-yl)pyrimidine (C23H16Cl3N3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-(((4-Chlorobenzyl)thio)methyl)-6-((2,6-dichlorophenyl)thio)-2-(pyridin-2-yl)pyrimidine (CAS 338961-03-8), molecular formula C23H16Cl3N3S2 and molecular weight 504.88 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C23H16Cl3N3S2 |
| Molecular Weight | 504.88 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Chlorobenzyl Standards
- 4-chlorobenzyl 2-[2-(2,3,3-trichloroacryloyl)hydrazino]-4-(trifluoromethyl)pyrimidine-5-carboxylate (CAS 648859-35-2)
- 5-((4-Chlorobenzyl)thio)-4-(((2,4-dichlorophenyl)thio)methyl)-1-methyl-3-phenyl-1H-pyrazole (CAS 318959-32-9)
- 3-(((4-Chlorobenzyl)thio)methyl)-4-phenyl-5-((4-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole (CAS 344269-28-9)
- 3-(((4-Chlorobenzyl)thio)methyl)-5-((2,6-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 344269-35-8)
- 3-(((4-Chlorobenzyl)thio)methyl)-5-((3,4-dichlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 344273-49-0)
- 3-((4-Chlorobenzyl)thio)-5-(((2,4-dichlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazole (CAS 344274-54-0)
- 3-((4-Chlorobenzyl)thio)-5-(((2,6-dichlorobenzyl)thio)methyl)-4-phenyl-4H-1,2,4-triazole (CAS 344271-34-7)
- 4-Chlorobenzyl (5-phenyl-1-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl)carbamate (CAS 956763-44-3)
Recommended Standards
- Hexadecyl (9Z,12Z)-octadeca-9,12-dienoate (CAS 20424-31-1)
- 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[(2,4-dichlorophenyl)sulfanyl]-2-(pyridin-2-yl)pyrimidine (CAS 338960-86-4)
- (Z)-{2-[(4-chlorophenyl)sulfanyl]-1-{2,7-dimethylimidazo[1,2-a]pyridin-3-yl}ethylidene}[(2,4-dichlorophenyl)methoxy]amine (CAS 478047-78-8)
- (E)-3-[3-Ethoxy-4-(phthalimidyl)anilino]-N-(3-chloro-4-fluorophenyl)-2-cyano-2-propenamide (E)-N-(3-Chloro-4-fluorophenyl)-2-cyano-3-[[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-ethoxyphenyl]amino]-2-propenamide 915945-39-0 (CAS 915945-39-0)
- 4-[4-[(2-Bromophenyl)methyl]-1-piperazinyl]benzoic Acid Ethyl Ester-d8 (CAS 1246817-87-7)
- 1-(Ethoxymethyl)-1H-pyrrole-2-carbonyl chloride (CAS 714957-07-0)
- 4-Bromo-2-methylbenzene-1,3-diol (CAS 139553-46-1)
- Omeprazole Impurity 64 (CAS 50651-39-3)
- 5-(2,6-Dichlorophenyl)-1,3,4-thiadiazol-2-amine (CAS 89978-31-4)
- 1-Methyl-3,5-diphenyl-1H-pyrazole (CAS 19311-79-6)
- N-(2-fluorobenzyl)-3-isopropoxypropan-1-amine (CAS 932235-39-7)
- 2-Methyl-6-(methylamino)pyrimidin-4-ol (CAS 857414-73-4)
- Methyl 6-bromo-5-methylpyridazine-3-carboxylate (CAS 2135332-83-9)
- Tirzepatide Impurity 33 (CAS CATO-C4X-324033)
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