5-(2H-1,3-Benzodioxol-5-yl)-1-(4-chlorobenzenesulfonyl)-1H-pyrazole CAS 956193-64-9
| CAS No. | 956193-64-9 |
| Molecular Formula | C16H11ClN2O4S |
| Molecular Weight | 362.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-(2H-1,3-Benzodioxol-5-yl)-1-(4-chlorobenzenesulfonyl)-1H-pyrazole is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-(2H-1,3-Benzodioxol-5-yl)-1-(4-chlorobenzenesulfonyl)-1H-pyrazole (CAS 956193-64-9), molecular formula C16H11ClN2O4S and molecular weight 362.79 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H11ClN2O4S, 5-(2H-1,3-Benzodioxol-5-yl)-1-(4-chlorobenzenesulfonyl)-1H-pyrazole 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 362.79 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.
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.
As a certified reference material (CRM), 5-(2H-1,3-Benzodioxol-5-yl)-1-(4-chlorobenzenesulfonyl)-1H-pyrazole 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 | C16H11ClN2O4S |
| Molecular Weight | 362.79 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related H Standards
- 2-(2H-1,3-Benzodioxol-5-yl)-3-bromo-6-nitroimidazo[1,2-a]pyridine (CAS 904814-03-5)
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- 2-(2H-1,3-Benzodioxol-5-yl)-3-iodoimidazo[1,2-a]pyridine (CAS 1426142-83-7)
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- (Z)-2-(1,3-benzodioxol-5-yl)-3-(1-isobutyl-1,2,3,4-tetrahydro-6-quinolinyl)-2-propenenitrile (CAS 866039-70-5)
- 1-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-(3-methoxythiophene-2-carbonyl)piperazine (CAS 866009-04-3)
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Recommended Standards
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- Indapamide Impurity 10 (CAS CATO-C4X-140010)
- 2-((4-(Difluoromethyl)-2-isopropyl-2h-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid (CAS 1018166-33-0)
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- 2-Cyclobutyl-3-oxobutanenitrile (CAS 1956334-69-2)
- 2-(4,4-Difluorocyclohexyl)acetic Acid (CAS 915030-40-9)
- 156281-11-7 4-(tert-Butoxycarbonyloxy)benzylalcohol Carbonic acid 1,1-Dimethylethyl 4-(Hydroxymethyl)phenyl Ester tert-Butyl p-(Hydroxymethyl)phenyl Carbonate (CAS 156281-11-7)
- (3S,4S)-3,4-Bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one (CAS 148409-36-3)
- 2-(Benzylamino)-2-(4-chlorophenyl)acetonitrile (CAS 64661-25-2)
- Methyl 2-deoxy-3-5-di-O-benzoyl-D-ribofuranoside (CAS 108647-88-7)
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