1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoyl}pyrrolidine CAS 339101-78-9
| CAS No. | 339101-78-9 |
| Molecular Formula | C18H17ClN2O5S |
| Molecular Weight | 408.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoyl}pyrrolidine (CAS 339101-78-9), molecular formula C18H17ClN2O5S and molecular weight 408.86 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C18H17ClN2O5S, 1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoyl}pyrrolidine 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 408.86 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H17ClN2O5S |
| Molecular Weight | 408.86 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related chlorobenzenesulfonyl Standards
- (2E)-1-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrophenyl}-3-(dimethylamino)prop-2-en-1-one (CAS 303145-49-5)
- 2-[4-(3-chlorobenzenesulfonyl)piperazine-1-carbonyl]benzoic acid (CAS 743445-14-9)
- 3-[(4-Chlorobenzenesulfonyl)methyl]-N-[(1E)-(dimethylamino)methylidene]-4-nitrobenzamide (CAS 1164481-20-2)
- 5-(4-Chlorobenzenesulfonyl)-4-phenyl-2-(pyridin-3-yl)pyrimidine (CAS 339110-20-2)
- 4-[2-(4-Chlorobenzenesulfonyl)acetyl]-2,6-dimethylphenyl N,N-dimethylcarbamate (CAS 339112-12-8)
- 4-[(4-Chlorobenzenesulfonyl)methyl]-6-[(4-fluorophenyl)methoxy]-2-methylpyrimidine (CAS 338960-43-3)
- (2Z)-2-(4-chlorobenzenesulfonyl)-3-[(4-phenoxyphenyl)amino]prop-2-enenitrile 1024714-08-6 MS-11306 (CAS 1024714-08-6)
- 3-[(4-Chlorobenzenesulfonyl)methyl]-N-[(1E)-(methoxyamino)methylidene]-4-nitrobenzamide (CAS 478262-05-4)
Recommended Standards
- (2R,3R,4S,5R)-2-(6-((4-Chlorobenzyl)thio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (CAS 51375-21-4)
- N,N-Bis(2-Chloroethyl)-4-Fluorobenzenesulfonamide (CAS 2794-56-1)
- 4-Benzoyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoxalin-2-one (CAS 317822-18-7)
- Dapagliflozin Furanose Isomer (CAS 1469910-70-0)
- 2,3-Dihydro-1H-imidazo[1,2-b]pyrazole (CAS 6714-29-0)
- 2-Bromo-5-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine (CAS 1806913-25-6)
- 1,4-bis(2,2,2-trifluoroethoxy)benzene (CAS 66300-61-6)
- Fibronectin Fragment (1376-1380) trifluoroacetate salt (CAS 158622-13-0)
- 3-Chloro-5-methoxy-1H-indazole (CAS 885519-28-8)
- 1-Ethyl-2,5,6-triphenylpyrimidin-4(1H)-one (CAS 88317-16-2)
- N,N'-(ethane-1,2-diyl)bis(N-methylnitrous amide) (CAS 13256-12-7)
- 4,4-Dimethyl-d (CAS 42052-87-9)
- (3-(Benzyloxy)-1-cyanocyclobutyl)-methyl 4-methylbenzenesulfonate (CAS 1181816-15-8)
- Hexapeptide-9 (CAS 1228371-11-6)
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