2-(propan-2-yl)-1H-1,3-benzodiazole-4-carboxylic acid CAS 916075-96-2
| CAS No. | 916075-96-2 |
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-(propan-2-yl)-1H-1,3-benzodiazole-4-carboxylic acid (C11H20N2O2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 212.29 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.
2-(propan-2-yl)-1H-1,3-benzodiazole-4-carboxylic acid (CAS 916075-96-2) is a high-purity analytical reference standard with the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol.
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.
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 | C11H20N2O2 |
| Molecular Weight | 212.29 g/mol |
| Appearance | White to pale 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
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