(3S)-5,5-difluoro-2-azabicyclo[2.2.1]Heptane-3-carboxylic acid CAS 1394117-05-5
| CAS No. | 1394117-05-5 |
| Molecular Formula | C7H9F2NO2 |
| Molecular Weight | 177.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(3S)-5,5-difluoro-2-azabicyclo[2.2.1]Heptane-3-carboxylic acid (CAS 1394117-05-5), molecular formula C7H9F2NO2 and molecular weight 177.15 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (3S)-5,5-difluoro-2-azabicyclo[2.2.1]Heptane-3-carboxylic acid (C7H9F2NO2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 177.15 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.
Physical & Chemical Properties
| Molecular Formula | C7H9F2NO2 |
| Molecular Weight | 177.15 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related S Standards
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