methyl 4-methanesulfonyl-2-nitrobenzoate CAS 158581-07-8
| CAS No. | 158581-07-8 |
| Molecular Formula | C9H9NO6S |
| Molecular Weight | 259.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
methyl 4-methanesulfonyl-2-nitrobenzoate (CAS 158581-07-8), molecular formula C9H9NO6S and molecular weight 259.24 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H9NO6S, methyl 4-methanesulfonyl-2-nitrobenzoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 259.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C9H9NO6S |
| Molecular Weight | 259.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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.) | 2002 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related methyl Standards
- methyl 3-methanesulfonyl-5-nitrobenzoate (CAS 1044271-95-5)
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- 3-Methanesulfonyl-4,6-dimethyl-2-(propylsulfanyl)pyridine (CAS 339016-88-5)
- 3-Ethyl-4-methanesulfonyl-2-methoxybenzoic acid (CAS 329695-71-8)
- 5-Methanesulfonyl-2-(propan-2-yloxy)benzoic acid (CAS 845616-02-6)
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Recommended Standards
- Oxiran-2-ylmethyl 4-nitrobenzenesulfonate (CAS 158505-66-9)
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- O6-(4-fluorobenzyl)guanine, 98% (CAS 144084-37-7)
- 3-(Methylsulfonyl)-5-nitro-2,3-dihydrobenzofuran-2-ol (CAS 1707568-07-7)
- 2-(2-Bromophenoxy)-N-(2-hydroxyethyl)acetamide (CAS 87762-16-1)
- Ethyl 5-Bromopyrrole-2-carboxylate (CAS 740813-37-0)
- 5,6-Difluoro-1-N-propylbenzene-1,2-diamine (CAS 1249165-13-6)
- 2,2,2-Trifluoro-N-(quinolin-3-yl)acetamide (CAS 352637-16-2)
- Methyl 1-Phenylcyclopropanecarboxylate (CAS 6121-42-2)
- 2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrene (CAS 688756-58-3)
- 1,3-dibutyl-5-((dimethylamino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 1313712-21-8)
- 1-(chloromethyl)-4-fluoro-2-methylbenzene (CAS 80141-92-0)
- 2-(2,6-Difluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 2246738-41-8)
- Prolactin-Releasing Peptide (1-31) (human) (CAS 215510-22-8)
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