N-(4-bromo-3-iodophenyl)thietan-3-amine CAS 1865113-94-5
| CAS No. | 1865113-94-5 |
| Molecular Formula | C9H9BrINS |
| Molecular Weight | 370.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(4-bromo-3-iodophenyl)thietan-3-amine (CAS 1865113-94-5), molecular formula C9H9BrINS and molecular weight 370.05 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of N-(4-bromo-3-iodophenyl)thietan-3-amine (C9H9BrINS) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine/iodine 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.
As a certified reference material (CRM), N-(4-bromo-3-iodophenyl)thietan-3-amine 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 | C9H9BrINS |
| Molecular Weight | 370.05 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Br/I-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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