tert-Butyl 3-methyl-4-nitrobenzoate CAS 147290-67-3
| CAS No. | 147290-67-3 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, tert-Butyl 3-methyl-4-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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies tert-Butyl 3-methyl-4-nitrobenzoate (CAS 147290-67-3), a certified reference material (molecular formula C12H15NO4, MW 237.25 g/mol) for analytical method development and quality control.
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 | 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.) | 1999 |
| Nitrogen Atoms | 1 |
Recommended Standards
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- 2-(2,4-Difluorophenyl)-1-(1-methyl-1h-pyrazol-4-yl)ethan-1-amine (CAS 1462345-69-2)
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- Ethyl 6-amino-5-cyano-2-(((3-cyano-6-phenylpyridin-2-yl)thio)methyl)-4-(pyridin-3-yl)-4H-pyran-3-carboxylate (CAS 340818-10-2)
- Semaglutide impurity 266 (CAS CATO-C4X-2226266)
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