tert-Butyl 4-methyl-3-nitrobenzoate CAS 199589-61-2
| CAS No. | 199589-61-2 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 4-methyl-3-nitrobenzoate (CAS 199589-61-2) is a high-purity analytical reference standard with the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol.
Structurally, tert-Butyl 4-methyl-3-nitrobenzoate (C12H15NO4) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 237.25 g/mol, it falls into the medium-molecular-weight range. 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).
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.
As a certified reference material (CRM), tert-Butyl 4-methyl-3-nitrobenzoate 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.
Physical & Chemical Properties
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.25 g/mol |
| Appearance | Off-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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2014 |
| Nitrogen Atoms | 1 |
Recommended Standards
- tert-Butyl 2-methyl-6-nitrobenzoate (CAS 873005-17-5)
- tert-Butyl 4-oxo-4,5-dihydrofuro[2,3-c]pyridine-6(7H)-carboxylate (CAS 478625-47-7)
- tert-Butyl 2-methyl-5-nitrobenzoate (CAS 873005-25-5)
- Tert-butyl benzo[d][1,3]dioxol-5-ylcarbamate (CAS 333749-47-6)
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