tert-butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate CAS 214147-60-1
| CAS No. | 214147-60-1 |
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of tert-butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
tert-butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate (CAS 214147-60-1), molecular formula C12H13ClN2O2 and molecular weight 252.70 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-butyl 2-chloro-1H-benzo[d]imidazole-1-carboxylate (C12H13ClN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 252.70 g/mol, it falls into the medium-molecular-weight range. 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 | C12H13ClN2O2 |
| Molecular Weight | 252.70 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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.) | 2018 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
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