Methyl 4-fluoro-3-sulfamoylbenzoate CAS 85338-72-3
| CAS No. | 85338-72-3 |
| Molecular Formula | C8H8FNO4S |
| Molecular Weight | 233.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 4-fluoro-3-sulfamoylbenzoate (CAS 85338-72-3), molecular formula C8H8FNO4S and molecular weight 233.22 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, Methyl 4-fluoro-3-sulfamoylbenzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 233.22 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.) | 1981 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 2-Fluoro-1-methyl-5-(methylsulfonyl)-3-nitrobenzene (CAS 1000339-67-2)
- 5-Fluoro-2-(methylsulfonamido)benzoic Acid (CAS 1016788-23-0)
- Methyl 2-fluoro-5-sulfamoylbenzoate (CAS 1099052-48-8)
- 4-Fluoro-3-methanesulfonamidobenzoic acid (CAS 1184452-50-3)
- Methyl 3-fluoro-4-sulfamoylbenzoate (CAS 1204574-95-7)
- 4-Fluoro-3-methyl-5-sulfamoylbenzoic acid (CAS 1344370-87-1)
- 2-Fluoro-5-(methylsulfonamido)benzoic acid (CAS 137315-01-6)
- 3-Fluoro-4-(N-methylsulfamoyl)benzoic acid (CAS 1503725-93-6)
Recommended Standards
- Methyl 4-Acetoxyindole-6-carboxylate (CAS 41123-14-2)
- methyl 4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate (CAS 84088-50-6)
- Methyl 4-(isoxazol-5-ylmethoxy)benzoate (CAS 890091-84-6)
- Methyl 4-hydroxy-7-methoxyquinoline-2-carboxylate (CAS 259214-73-8)
- 5-Acetyl-4-hydroxy-2h-1,3-thiazine-2,6(3h)-dione (CAS 91114-97-5)
- 1-(tert-Butyl)-2-cyclopenten-1-ol (CAS 77931-79-4)
- N-(3,3-Diphenylpropyl)-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide (CAS 946251-97-4)
- 1, 3- Di(methyl- d (CAS 13720-07-5)
- 3-Methylisoxazole-4-sulfonic acid (CAS 747406-57-1)
- 1-(2-(3-Ethyl-5-methylisoxazol-4-yl)-1H-indol-3-yl)ethanone (CAS 83102-53-8)
- Methyl 3-{[(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]amino}-2-thiophenecarboxylate (CAS 691868-60-7)
- 2-((5-(3-(Trifluoromethoxy)benzamido)-1,3,4-thiadiazol-2-yl)thio)acetic acid (CAS 866155-89-7)
- Venlafaxine Impurity N2 (CAS 1346601-14-6)
- Semaglutide impurity 34 (CAS CATO-C4X-222634)
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