Tert-butyl 4-nitro-1H-benzo[d]imidazole-1-carboxylate CAS 208772-95-6
| CAS No. | 208772-95-6 |
| Molecular Formula | C12H13N3O4 |
| Molecular Weight | 263.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Tert-butyl 4-nitro-1H-benzo[d]imidazole-1-carboxylate.
Tert-butyl 4-nitro-1H-benzo[d]imidazole-1-carboxylate (CAS 208772-95-6) is a high-purity analytical reference standard with the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol.
The molecular framework of Tert-butyl 4-nitro-1H-benzo[d]imidazole-1-carboxylate (C12H13N3O4) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C12H13N3O4 |
| Molecular Weight | 263.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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 |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2016 |
| Nitrogen Atoms | 3 |
Recommended Standards
- tert-butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate (CAS 914223-27-1)
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- tert-Butyl (4-cyano-2-nitrophenyl)carbamate (CAS 388571-31-1)
- tert-Butyl 6-nitro-1H-indazole-1-carboxylate (CAS 219503-74-9)
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- Neuropeptide Y (free acid) (human, rat) trifluoroacetate salt (CAS 99575-89-0)
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