4-{[(4-chlorophenyl)sulfanyl]methyl}-6-[(2,6-dichlorophenyl)sulfanyl]-2-methylpyrimidine CAS 339278-81-8
| CAS No. | 339278-81-8 |
| Molecular Formula | C18H13Cl3N2S2 |
| Molecular Weight | 427.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 427.80 g/mol gives 4-{[(4-chlorophenyl)sulfanyl]methyl}-6-[(2,6-dichlorophenyl)sulfanyl]-2-methylpyrimidine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-{[(4-chlorophenyl)sulfanyl]methyl}-6-[(2,6-dichlorophenyl)sulfanyl]-2-methylpyrimidine (CAS 339278-81-8), molecular formula C18H13Cl3N2S2 and molecular weight 427.80 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution, 4-{[(4-chlorophenyl)sulfanyl]methyl}-6-[(2,6-dichlorophenyl)sulfanyl]-2-methylpyrimidine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 427.80 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 4-{[(4-chlorophenyl)sulfanyl]methyl}-6-[(2,6-dichlorophenyl)sulfanyl]-2-methylpyrimidine 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 | C18H13Cl3N2S2 |
| Molecular Weight | 427.80 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related chlorophenyl Standards
- 4-{[(4-chlorophenyl)sulfanyl]methyl}-6-[(2,4-dichlorophenyl)sulfanyl]-2-methylpyrimidine (CAS 339278-79-4)
- 1-(4-Chlorophenyl)-5-[(2E)-3-(dimethylamino)prop-2-enoyl]-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 338770-05-1)
- 2-((4-(3-Chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,5-dichlorophenyl)acetamide (CAS 335400-06-1)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(3,5-dichlorophenoxy)-5-methoxypyrimidine (CAS 338423-19-1)
- 5-(4-Chlorophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-2(5H)-one (CAS 496798-24-4)
- 3-(4-Chlorophenyl)-5-(methylsulfanyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CAS 477858-03-0)
- N-(4-Chlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide (CAS 332175-87-8)
- Ethyl 2-(4-(3-chlorophenyl)piperazin-1-yl)-5-(4-fluorophenyl)-1H-pyrrole-3-carboxylate (CAS 338406-24-9)
Recommended Standards
- 4-Chloro-2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-6-[(phenylsulfanyl)methyl]pyrimidine (CAS 860609-64-9)
- 3-Chloro-4,5-bis((4-chlorobenzyl)thio)pyridazine (CAS 5589-92-4)
- Regadenoson Impurity N2 (CAS 79999-39-6)
- (Z)-1-(3-morpholino-5-(trifluoromethyl)pyridin-2-yl)ethan-1-one O-(4-chlorobenzoyl) oxime (CAS 860650-97-1)
- Pyridoxine-D5 (CAS 688302-31-0)
- n-Cyclohexyl-4,5-dihydro-1,3-thiazol-2-amine (CAS 56242-66-1)
- (3aR,4S,5R,6aS)-5-((tert-Butyldimethylsilyl)oxy)-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one (CAS 39968-95-1)
- Benzyl 1,7-diazaspiro[4.4]nonane-1-carboxylate (CAS 1086395-00-7)
- 2-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)benzenesulfonic acid (CAS 86964-20-7)
- 2-methyl-1H-benzimidazol-1-amine (CAS 6299-93-0)
- 2-((6-(Adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)-2-phenylacetic acid (CAS 488827-01-6)
- 2-(4-Aminopiperidin-1-yl)-1-(4-fluorophenyl)ethan-1-one (CAS 1338669-06-9)
- Tert-butyl (r)-(1-(2-fluorobenzoyl)pyrrolidin-3-yl)carbamate (CAS 1286207-79-1)
- Semaglutide Impurity 165 (CAS CATO-C4X-2226165)
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