6-tert-butyl-4-chloropyrrolo[2,1-f][1,2,4]triazine CAS 746671-38-5
| CAS No. | 746671-38-5 |
| Molecular Formula | C10H20ClN3 |
| Molecular Weight | 217.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-tert-butyl-4-chloropyrrolo[2,1-f][1,2,4]triazine is closely related to a nitrile group, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-tert-butyl-4-chloropyrrolo[2,1-f][1,2,4]triazine (CAS 746671-38-5), molecular formula C10H20ClN3 and molecular weight 217.74 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H20ClN3, 6-tert-butyl-4-chloropyrrolo[2,1-f][1,2,4]triazine contains a nitrile group, chlorine substitution; these features give the compound characteristic molecular-ion distribution patterns in mass spectrometry. The molecular weight of 217.74 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C10H20ClN3 |
| Molecular Weight | 217.74 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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