3-Fluorobicyclo[1.1.1]pentane-1-sulfinate (sodium) CAS 2917638-98-1
| CAS No. | 2917638-98-1 |
| Molecular Formula | C5H6FNaO2S |
| Molecular Weight | 172.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Fluorobicyclo[1.1.1]pentane-1-sulfinate (sodium) (CAS 2917638-98-1), molecular formula C5H6FNaO2S and molecular weight 172.15 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Fluorobicyclo[1.1.1]pentane-1-sulfinate (sodium) (C5H6FNaO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.5, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 172.15 g/mol, it falls into the medium-molecular-weight range. 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), 3-Fluorobicyclo[1.1.1]pentane-1-sulfinate (sodium) 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 | C5H6FNaO2S |
| Molecular Weight | 172.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.5 |
| CAS Registry Year (est.) | 2004 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Fluorobicyclo Standards
- Methyl 5-fluorobicyclo[3.1.1]Heptane-1-carboxylate (CAS 141046-61-9)
- 4-Fluorobicyclo[2.2.2]octane-1-carboxylic Acid (CAS 78385-84-9)
- Methyl 4-fluorobicyclo[2.2.1]heptane-1-carboxylate (CAS 84553-41-3)
- 2-Fluorobicyclo[1.1.1]pentane-1,3-dicarboxylic acid (CAS 2731009-62-2)
- 4-(3-Fluorobicyclo[1.1.1]Pentan-1-yl)aniline (CAS 1936606-29-9)
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