2,5-Diazabicyclo[4.2.0]Octane bis(2,2,2-trifluoroacetate) CAS 936706-47-7
| CAS No. | 936706-47-7 |
| Molecular Formula | 2*C2HF3O2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 2,5-Diazabicyclo[4.2.0]Octane bis(2,2,2-trifluoroacetate) (CAS 936706-47-7), a certified reference material (molecular formula C2HF3O2C6H12N2, MW 226.20 g/mol) for analytical method development and quality control.
The molecular framework of 2,5-Diazabicyclo[4.2.0]Octane bis(2,2,2-trifluoroacetate) (C2HF3O2C6H12N2) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine 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. 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.
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 | 2*C2HF3O2 C6H12N2 |
| Molecular Weight | 226.20 g/mol |
| 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 DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Diazabicyclo Standards
- 1,4-Diazabicyclo[4.3.1]decan-2-one (CAS 1000577-75-2)
- 7-Phenyl-1,4-diazabicyclo[4.1.0]heptan-5-one (CAS 100059-96-9)
- 2,5-Diazabicyclo[2.2.2]octane-3,6-dione (CAS 1004-98-4)
- 2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS 100944-14-7)
- 1,6-Diazabicyclo[3.2.1]octan-7-one (CAS 101080-06-2)
- 8-Ethyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride (CAS 101724-47-4)
- 3-Boc-3,6-diazabicyclo[3.2.0]heptane (CAS 1017789-34-2)
- 3-Benzyl-3,7-diazabicyclo[3.3.1]nonane dihydrochloride (CAS 1024011-04-8)
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- 5-Methoxy-3-[3-(N-methylaminocarbonyl)phenyl]benzoic acid (CAS 1261980-21-5)
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