2-((2,4-Dichlorobenzyl)thio)-4-(3,4-dichlorophenoxy)-5-methoxypyrimidine CAS 866017-30-3
| CAS No. | 866017-30-3 |
| Molecular Formula | C18H12Cl4N2O2S |
| Molecular Weight | 462.18 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.
2-((2,4-Dichlorobenzyl)thio)-4-(3,4-dichlorophenoxy)-5-methoxypyrimidine (CAS 866017-30-3) is a high-purity analytical reference standard with the molecular formula C18H12Cl4N2O2S and a molecular weight of 462.18 g/mol.
Structurally, 2-((2,4-Dichlorobenzyl)thio)-4-(3,4-dichlorophenoxy)-5-methoxypyrimidine (C18H12Cl4N2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 462.18 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 2-((2,4-Dichlorobenzyl)thio)-4-(3,4-dichlorophenoxy)-5-methoxypyrimidine 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 | C18H12Cl4N2O2S |
| Molecular Weight | 462.18 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Dichlorobenzyl Standards
- 2-((2,6-Dichlorobenzyl)thio)-4-(3,4-dichlorophenoxy)-5-methoxypyrimidine (CAS 338955-98-9)
- 5-(4-((2,4-Dichlorobenzyl)oxy)-3-iodophenyl)-1,3,4-oxadiazol-2-amine (CAS 1706448-72-7)
- 3-((2,6-Dichlorobenzyl)sulfonyl)-N-(2,4-difluorophenyl)thiophene-2-carboxamide (CAS 251097-08-2)
- 3-((3,4-Dichlorobenzyl)sulfonyl)-N-(2,4-difluorophenyl)thiophene-2-carboxamide (CAS 251097-76-4)
- 1-(2,6-Dichlorobenzyl)-4-(2,4-difluorobenzoyl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (CAS 317822-44-9)
- 1-(2,6-Dichlorobenzyl)-4-(2,6-difluorobenzoyl)-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (CAS 317833-50-4)
- 3-((3,4-Dichlorobenzyl)thio)-N-(3,4-dichlorophenyl)thiophene-2-carboxamide (CAS 251096-88-5)
- 3-((3,4-Dichlorobenzyl)thio)-N-(3,5-dichlorophenyl)thiophene-2-carboxamide (CAS 251096-87-4)
Recommended Standards
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