4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 4-chlorobenzenesulfonate CAS 331461-14-4
| CAS No. | 331461-14-4 |
| Molecular Formula | C16H14ClNO6S3 |
| Molecular Weight | 447.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 4-chlorobenzenesulfonate (CAS 331461-14-4), molecular formula C16H14ClNO6S3 and molecular weight 447.93 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H14ClNO6S3, 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 4-chlorobenzenesulfonate 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 447.93 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C16H14ClNO6S3 |
| Molecular Weight | 447.93 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 3 |
Related Dithiolan Standards
- 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 4-(tert-butyl)benzoate (CAS 298215-43-7)
- 5-(1,2-Dithiolan-3-yl)-N-(14-hydroxy-3,6,9,12-tetraoxatetradecyl)pentanamide (CAS 2069955-60-6)
- 4-(1,3-Dithiolan-2-yl)phenyl 4-bromobenzenesulfonate (CAS 331461-26-8)
- 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate (CAS 298216-06-5)
- 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2-chlorobenzoate (CAS 298215-45-9)
- 4-(1,3-Dithiolan-2-yl)phenyl 2,3,4,5,6-pentamethylbenzene-1-sulfonate (CAS 301193-54-4)
- 4-(1,3-Dithiolan-2-yl)phenyl 2,4-dichlorobenzenesulfonate (CAS 298218-19-6)
- 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dichlorobenzene-1-sulfonate (CAS 298216-04-3)
Recommended Standards
- Losartan Impurity 21 (CAS 727718-93-6)
- tert-Butyl (R)-4-(2-(4-chloro-2-fluorophenyl)-2-methylbenzo[d][1,3]dioxol-4-yl)piperidine-1-carboxylate (CAS 2401894-42-4)
- Tecloftalam (CAS 76280-91-6)
- tert-Butyl (S)-4-(2-(4-chloro-2-fluorophenyl)-2-methylbenzo[d][1,3]dioxol-4-yl)piperidine-1-carboxylate (CAS 2401894-43-5)
- 4,6-Dimethyl-3-(1H)indazole carboxaldehyde (CAS 885521-66-4)
- tert-Butyl 4-(5-chloro-2-methoxyphenyl)piperidine-1-carboxylate (CAS 897666-33-0)
- Ethyl 3-[(4-nitrophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate (CAS 339020-39-2)
- 4-[(3,5-Dibromo-4-methoxyphenyl)methyl]-6-methyl-2-(methylamino)imidazo[4,5-d]azepin-5(6H)-one 634151-15-8 Ceratamine A (CAS 634151-15-8)
- Tert-butyl 7-(benzyloxy)-3-(hydroxymethyl)-1H-indole-1-carboxylate (CAS 914349-16-9)
- Adenosine Impurity 7 (CAS 64570-12-3)
- 4-Cyano-3-(difluoromethyl)-2-iodopyridine-6-acetonitrile (CAS 1806979-93-0)
- Dequalinium impurity 24 (CAS CATO-C4X-193624)
- 7-(Trifluoromethyl)-4-quinolinol 4-hydroxy-7-trifluoromethylquinoline 322-97-4 7-(trifluoromethyl)quinolin-4-ol 4-hydroxy-7-(trifluoromethyl)quinoline 4-hydroxy-7-trifluoromethylquinoline 7-trifluoromethyl-4-quinolinol 322-97-4 (CAS 322-97-4)
- Tau Peptide (74-102) (Exon 3/Insert 2 Domain) trifluoroacetate salt (CAS 1322695-34-0)
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