4-[(5E)-5-[(4-Chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione CAS 477766-88-4
| CAS No. | 477766-88-4 |
| Molecular Formula | C19H12ClN3O5S2 |
| Molecular Weight | 461.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C19H12ClN3O5S2, 4-[(5E)-5-[(4-Chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione 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 461.90 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 4-[(5E)-5-[(4-Chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione (CAS 477766-88-4), a certified reference material (molecular formula C19H12ClN3O5S2, MW 461.90 g/mol) for analytical method development and quality control.
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.
CATO manufactures 4-[(5E)-5-[(4-Chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C19H12ClN3O5S2 |
| Molecular Weight | 461.90 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) | 15.0 |
| 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 E Standards
- 5''-Chloro-N-((5,6-dimethoxypyridin-2-yl)methyl)-[2,2':5',3''-terpyridine]-3'-carboxamide (CAS 1207253-08-4)
- 5-Chloro-N-(2,4-dimethoxybenzyl)-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CAS 1235406-69-5)
- 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-((dimethylamino)methylene)-4-(phenylsulfonyl)butanamide (CAS 338420-80-7)
- 4-Chloro-3-(difluoromethoxy)-1-trityl-1H-pyrazolo[4,3-c]pyridine (CAS 2756656-96-7)
- 3-Chloro-5-fluorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate (CAS 1144036-48-5)
- (4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)(4-methyl-2-phenylpyrimidin-5-yl)methanone (CAS 338399-42-1)
- 4-(4-(2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)ethyl)-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-amine (CAS 957040-55-0)
- N-(3-Chloro-4-fluorophenyl)-7-(3-morpholinopropoxy)-6-nitroquinazolin-4-amine (CAS 267243-64-1)
Recommended Standards
- N'-[(1E)-{3-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}methylidene]-3,4,5-trimethoxybenzohydrazide (CAS 477886-84-3)
- TCN 201 (CAS 852918-02-6)
- Ticagrelor Impurity 116 (CAS 1863036-47-8)
- 5-(([1,1'-biphenyl]-2-yloxy)methyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)-4h-1,2,4-triazole-3-thiol (CAS 723333-51-5)
- Methyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate (CAS 389571-34-0)
- T7GPA66TO8 263562-28-3 Barixibat [INN] 11-(D-Gluconamido)-N-(2-((1S,2R,3S)-3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl)phenyl)undecanamide Barixibat 11-(D-Gluconamido)-N-{2-((1S,2R,3S)-3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl)phenyl}undecanamide UNII-T7GPA66TO8 (CAS 263562-28-3)
- 4-(3-Isopropylphenoxy)-3-methylaniline (CAS 946698-71-1)
- Hydroxydiazinon (CAS 29820-16-4)
- Lamotrigine Impurity 18 (CAS CATO-C4X-167218)
- 4-Acetylfuran-2-sulfonamide (CAS 256373-95-2)
- 3-Fluoro-1H-indole 4-methylbenzenesulfonate (CAS 1858255-05-6)
- N-(2-bromoethyl)-3-fluoro-N-methylaniline (CAS 1249593-87-0)
- 1-(3-Methoxyphenyl)propan-1-amine hydrochloride (CAS 1864074-52-1)
- Semaglutide impurity 98 (CAS CATO-C4X-222698)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com