2-Iodo-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzyl methanesulfonate CAS 400781-12-6
| CAS No. | 400781-12-6 |
| Molecular Formula | C10H8F3IN2O3S |
| Molecular Weight | 420.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2-Iodo-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzyl methanesulfonate (C10H8F3IN2O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-Iodo-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzyl methanesulfonate (CAS 400781-12-6) is a high-purity analytical reference standard with the molecular formula C10H8F3IN2O3S and a molecular weight of 420.15 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C10H8F3IN2O3S |
| Molecular Weight | 420.15 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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 | F/I-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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- Semaglutide impurity 69 (CAS CATO-C4X-222669)
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