Dimethyl 5-(3,5-dichlorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2-oxide CAS 955964-32-6
| CAS No. | 955964-32-6 |
| Molecular Formula | C16H13Cl2NO5S |
| Molecular Weight | 402.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Dimethyl 5-(3,5-dichlorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2-oxide (CAS 955964-32-6) is a high-purity analytical reference standard with the molecular formula C16H13Cl2NO5S and a molecular weight of 402.25 g/mol.
Based on its molecular formula C16H13Cl2NO5S, Dimethyl 5-(3,5-dichlorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2-oxide contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 402.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), Dimethyl 5-(3,5-dichlorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2-oxide 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 | C16H13Cl2NO5S |
| Molecular Weight | 402.25 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dimethyl Standards
- Dimethyl 5-(3,4-dichlorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2-oxide (CAS 339113-64-3)
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- dimethyl ((3aR,4R,6R,6aR)-6-(benzyloxymethyl)-4-hydroxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methylphosphonate (CAS 117251-95-3)
- dimethyl 2-((4R,5R)-5-((R)-2-(benzyloxy)-1-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxoethylphosphonate (CAS 89291-71-4)
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