(1R,3S,5R,6R)-6-(trifluoromethyl)-2-azabicyclo[3.1.0]Hexane-3-carboxylic acid CAS 1212823-10-3
| CAS No. | 1212823-10-3 |
| Molecular Formula | C7H8F3NO2 |
| Molecular Weight | 195.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(1R,3S,5R,6R)-6-(trifluoromethyl)-2-azabicyclo[3.1.0]Hexane-3-carboxylic acid (CAS 1212823-10-3) is a high-purity analytical reference standard with the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol.
Based on its molecular formula C7H8F3NO2, (1R,3S,5R,6R)-6-(trifluoromethyl)-2-azabicyclo[3.1.0]Hexane-3-carboxylic acid contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 195.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C7H8F3NO2 |
| Molecular Weight | 195.14 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.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 1-Methyl-3-(2,2,2-trifluoroacetyl)pyrrolidin-2-one (CAS 107470-28-0)
- (1S,3S,5S,6S)-6-(trifluoromethyl)-2-azabicyclo[3.1.0]Hexane-3-carboxylic acid (CAS 1212823-78-3)
- 5-Methyl-6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one (CAS 103778-83-2)
- 4-(Trifluoromethyl)-2-azabicyclo[2.1.1]Hexane-1-carboxylic acid (CAS 1221725-45-6)
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