Tert-butyl ((1r,4r)-4-(bromomethyl)-4-fluorocyclohexyl)carbamate CAS 2231663-56-0
| CAS No. | 2231663-56-0 |
| Molecular Formula | C12H21BrFNO2 |
| Molecular Weight | 310.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Tert-butyl ((1r,4r)-4-(bromomethyl)-4-fluorocyclohexyl)carbamate is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Tert-butyl ((1r,4r)-4-(bromomethyl)-4-fluorocyclohexyl)carbamate (CAS 2231663-56-0), molecular formula C12H21BrFNO2 and molecular weight 310.20 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H21BrFNO2, Tert-butyl ((1r,4r)-4-(bromomethyl)-4-fluorocyclohexyl)carbamate contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 310.20 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.
As a certified reference material (CRM), Tert-butyl ((1r,4r)-4-(bromomethyl)-4-fluorocyclohexyl)carbamate 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 | C12H21BrFNO2 |
| Molecular Weight | 310.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Polyethylene Glycol Monomethyl Ether (CAS 80506-64-5)
- Tert-butyl ((1s,4s)-4-(bromomethyl)-4-fluorocyclohexyl)carbamate (CAS 2231664-48-3)
- Phenyl-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanol (CAS 857934-89-5)
- Dotinurad Impurity 140 (CAS CATO-C4X-2494140)
- 1-Bromo-4-(ethylsulfonyl)-2,2-dimethylbutane (CAS 1487815-02-0)
- 3-(2-Iodophenyl)acrylic acid (CAS 1643-34-1)
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