1-Fluoro-5-methyl-4-(methylsulfonyl)-2-nitrobenzene CAS 849035-74-1
| CAS No. | 849035-74-1 |
| Molecular Formula | C8H8FNO4S |
| Molecular Weight | 233.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 233.22 g/mol gives 1-Fluoro-5-methyl-4-(methylsulfonyl)-2-nitrobenzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-Fluoro-5-methyl-4-(methylsulfonyl)-2-nitrobenzene (CAS 849035-74-1) is a high-purity analytical reference standard with the molecular formula C8H8FNO4S and a molecular weight of 233.22 g/mol.
Structurally, 1-Fluoro-5-methyl-4-(methylsulfonyl)-2-nitrobenzene (C8H8FNO4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 233.22 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.
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 | C8H8FNO4S |
| Molecular Weight | 233.22 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Fluoro Standards
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- 4-Fluoro-3-methanesulfonamidobenzoic acid (CAS 1184452-50-3)
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- Semaglutide impurity 68 (CAS CATO-C4X-222668)
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