tert-butyl 4-[(chlorosulfonyl)methyl]azepane-1-carboxylate CAS 1955547-38-2
| CAS No. | 1955547-38-2 |
| Molecular Formula | C12H22ClNO4S |
| Molecular Weight | 311.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies tert-butyl 4-[(chlorosulfonyl)methyl]azepane-1-carboxylate (CAS 1955547-38-2), a certified reference material (molecular formula C12H22ClNO4S, MW 311.83 g/mol) for analytical method development and quality control.
The molecular framework of tert-butyl 4-[(chlorosulfonyl)methyl]azepane-1-carboxylate (C12H22ClNO4S) is characterized by an amide group, a sulfone group, a carboxylic acid 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.
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 | C12H22ClNO4S |
| Molecular Weight | 311.83 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 | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
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- Semaglutide impurity 274 (CAS CATO-C4X-2226274)
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