321309-30-2 6-fluoranyl-8-isocyanato-4H-1,3-benzodioxine 6-fluoro-8-isocyanato-4H-1,3-benzodioxin A821148 CAS 321309-30-2
| CAS No. | 321309-30-2 |
| Molecular Formula | C9H6FNO3 |
| Molecular Weight | 195.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
321309-30-2 6-fluoranyl-8-isocyanato-4H-1,3-benzodioxine 6-fluoro-8-isocyanato-4H-1,3-benzodioxin A821148 (CAS 321309-30-2) is a high-purity analytical reference standard with the molecular formula C9H6FNO3 and a molecular weight of 195.15 g/mol.
Structurally, 321309-30-2 6-fluoranyl-8-isocyanato-4H-1,3-benzodioxine 6-fluoro-8-isocyanato-4H-1,3-benzodioxin A821148 (C9H6FNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 195.15 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 321309-30-2 6-fluoranyl-8-isocyanato-4H-1,3-benzodioxine 6-fluoro-8-isocyanato-4H-1,3-benzodioxin A821148 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 | C9H6FNO3 |
| Molecular Weight | 195.15 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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