(1S,2S,5R)-6,6-difluoro-4-oxo-3-azabicyclo[3.1.0]hexane-2-carboxylic acid CAS 213682-41-8
| CAS No. | 213682-41-8 |
| Molecular Formula | C6H5F2NO3 |
| Molecular Weight | 177.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), (1S,2S,5R)-6,6-difluoro-4-oxo-3-azabicyclo[3.1.0]hexane-2-carboxylic acid 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.
(1S,2S,5R)-6,6-difluoro-4-oxo-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CAS 213682-41-8), molecular formula C6H5F2NO3 and molecular weight 177.11 g/mol, is a CATO reference standard with documented purity and traceability.
(1S,2S,5R)-6,6-difluoro-4-oxo-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (C6H5F2NO3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C6H5F2NO3 |
| Molecular Weight | 177.11 g/mol |
| Appearance | Off-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 sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2018 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (1S,2R,5R)-6,6-difluoro-4-oxo-3-azabicyclo[3.1.0]Hexane-2-carboxylic acid (CAS 201231-55-2)
- 2-Propanol, cobalt(2+) salt (CAS 60406-95-3)
- (1R,2S,5S)-6,6-Difluoro-4-oxo-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CAS 201231-48-3)
- 3-(1,1-Difluoroethyl)isoxazole-4-carboxylic acid (CAS 2452464-87-6)
- 2,6-Dichloro-3-methylpyridin-4-amine (CAS 2089291-96-1)
- 4-Iodo-3-methyl-1H-indazole (CAS 1360936-09-9)
- 2-[2-(piperazin-1-yl)ethyl]pyrazine (CAS 381721-51-3)
- 2-Methyl-6-(trifluoromethyl)-1,8-naphthyridine (CAS 1261365-74-5)
- 3-Hydroxy-thiobutyric acid S-phenyl ester (CAS 727388-72-9)
- WST-3 (CAS 515111-36-1)
- Lifitegrast Impurity 168 (CAS CATO-C4X-2409168)
- 2-(4-Methoxynaphthalen-1-yl)benzofuran-3-carboxylic acid (CAS 61639-38-1)
- 5-Bromo-2-fluoro-3-methylbenzamide (CAS 1503765-55-6)
- Semaglutide impurity 34 (CAS CATO-C4X-222634)
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