4-Chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid CAS 328032-91-3
| CAS No. | 328032-91-3 |
| Molecular Formula | C13H16ClNO4S |
| Molecular Weight | 317.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-Chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid 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.
4-Chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid (CAS 328032-91-3), molecular formula C13H16ClNO4S and molecular weight 317.79 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Chloro-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoic acid (C13H16ClNO4S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C13H16ClNO4S |
| Molecular Weight | 317.79 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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