tert-Butyl (6-cyano-5-(trifluoromethyl)pyridin-3-yl)carbamate CAS 1165744-14-8
| CAS No. | 1165744-14-8 |
| Molecular Formula | C12H12F3N3O2 |
| Molecular Weight | 287.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), tert-Butyl (6-cyano-5-(trifluoromethyl)pyridin-3-yl)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.
tert-Butyl (6-cyano-5-(trifluoromethyl)pyridin-3-yl)carbamate (CAS 1165744-14-8), molecular formula C12H12F3N3O2 and molecular weight 287.24 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H12F3N3O2, tert-Butyl (6-cyano-5-(trifluoromethyl)pyridin-3-yl)carbamate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 287.24 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.
Physical & Chemical Properties
| Molecular Formula | C12H12F3N3O2 |
| Molecular Weight | 287.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-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 DMSO, DMF, methanol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- [6-ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid (CAS 1018125-51-3)
- Quinolin-3-yl(3,4,5-trifluorophenyl)methanone (CAS 1187168-56-4)
- Pomalidomide Impurity 50 (CAS CATO-C4X-135450)
- 4-(3,4,5-trifluorobenzoyl)isoquinoline (CAS 1187169-84-1)
- 2,2'-azanediylbis(N-(2,2,2-trifluoroethyl)acetamide) hydrochloride (CAS 2248680-88-6)
- 2-Bromo-1-(thiophen-2-yl)propan-1-one (CAS 75815-46-2)
- 6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine (CAS 185796-64-9)
- 5-(Bromomethyl)oxazolidin-2-imine (CAS 52886-60-9)
- 4-(3,5-Dimethyl-1H-pyrazol-4-ylmethyl)-5-methyl-isoxazole-3-carboxylic acid hydrochloride (CAS 1257842-91-3)
- 1-(5-METHYL-2-THIAZOLYL)-PIPERAZINE (CAS 118113-05-6)
- Methyl 1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxylate (CAS 349624-64-2)
- Dapagliflozin Impurity 106 (CAS CATO-C4X-1138106)
- 2-(4-Bromo-1-ethyl-1h-pyrazol-5-yl)acetonitrile (CAS 1310379-56-6)
- Tirzepatide Impurity 11 TFA salt (CAS CATO-C4X-324011)
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