3-(2-((3-Chlorobenzyl)thio)pyrimidin-4-yl)-1-(p-tolyl)pyridazin-4(1H)-one CAS 478077-68-8
| CAS No. | 478077-68-8 |
| Molecular Formula | C22H17ClN4OS |
| Molecular Weight | 420.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(2-((3-Chlorobenzyl)thio)pyrimidin-4-yl)-1-(p-tolyl)pyridazin-4(1H)-one.
3-(2-((3-Chlorobenzyl)thio)pyrimidin-4-yl)-1-(p-tolyl)pyridazin-4(1H)-one (CAS 478077-68-8), molecular formula C22H17ClN4OS and molecular weight 420.91 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(2-((3-Chlorobenzyl)thio)pyrimidin-4-yl)-1-(p-tolyl)pyridazin-4(1H)-one (C22H17ClN4OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
As a certified reference material (CRM), 3-(2-((3-Chlorobenzyl)thio)pyrimidin-4-yl)-1-(p-tolyl)pyridazin-4(1H)-one 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 | C22H17ClN4OS |
| Molecular Weight | 420.91 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 | 4 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- 1-(4-Chlorobenzyl)-3'-phenylspiro[indoline-3,2'-thiazolidine]-2,4'-dione (CAS 338419-04-8)
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Recommended Standards
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- 4-((3-(Benzyloxy)benzylidene)amino)-3-(3-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478254-71-6)
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- TC-G 24 (CAS 1257256-44-2)
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- (R)-1-(3-(Difluoromethyl)-5-nitrophenyl)ethan-1-amine hydrochloride (CAS 2832104-36-4)
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