3-(chlorosulfonyl)-4-ethylbenzoic acid CAS 500596-03-2
| CAS No. | 500596-03-2 |
| Molecular Formula | C9H9ClO4S |
| Molecular Weight | 248.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 248.68 g/mol gives 3-(chlorosulfonyl)-4-ethylbenzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(chlorosulfonyl)-4-ethylbenzoic acid (CAS 500596-03-2), molecular formula C9H9ClO4S and molecular weight 248.68 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H9ClO4S, 3-(chlorosulfonyl)-4-ethylbenzoic acid contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 248.68 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H9ClO4S |
| Molecular Weight | 248.68 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), 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; 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.) | 1984 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related chlorosulfonyl Standards
- 4-(Chlorosulfonyl)phenyl propionate (CAS 1029717-21-2)
- Ethyl 2-(chlorosulfonyl)benzoate (CAS 103008-54-4)
- 4-Chlorosulfonyl-benzoic acid ethyl ester (CAS 10486-51-8)
- Methyl 2-(chlorosulfonyl)-5-methylbenzoate (CAS 1153230-09-1)
- Methyl 3-(chlorosulfonyl)-5-methylbenzoate (CAS 1154149-31-1)
- 4-Methyl-2-chlorosulfonyl-benzoic acid methyl ester, 97% (CAS 1188087-56-0)
- Methyl 2-(chlorosulfonyl)-3-methylbenzoate (CAS 126535-26-0)
- Methyl 4-((chlorosulfonyl)methyl)benzoate (CAS 130047-14-2)
Recommended Standards
- 3-(Chlorosulfonyl)-2,6-dimethylbenzoic acid (CAS 866358-15-8)
- 3-(Difluoromethoxy)benzene-1-sulfonyl chloride (CAS 351003-38-8)
- 3-(4-Chloro-benzenesulfonyl)-propionic acid (CAS 90396-00-2)
- 3,4-Dihydro-2H-1,5-benzodioxepine-7-sulfonyl chloride (CAS 321309-38-0)
- 4-(Hydroxymethyl)piperidin-3-ol (CAS 220218-57-5)
- 2-Chloro-5-fluoropyridin-3-ol (CAS 884494-35-3)
- 4843-43-0 3-(2-Naphthyl)prop-2-ynoic acid DTXSID90385398 (CAS 4843-43-0)
- N-Desmethyl Terbinafine-d7 (CAS 1246833-28-2)
- Oxacillin Impurity 47 (CAS CATO-C4X-232147)
- 1-Hydroxy-3-oxo-1,3-dihydro-2-benzofuran-1-carboxamide (CAS 412028-80-9)
- 2-(Difluoromethyl)-6-fluoro-3-nitropyridine-4-sulfonamide (CAS 1805439-11-5)
- 3,4-Dichloro-N'-(imidazo[1,2-a]pyridin-6-ylmethylene)benzohydrazide (CAS 2197064-23-4)
- 2-(Dimethylamino)ethanol hydrochloride (CAS 2498-25-1)
- Peptide YY (canine, mouse, porcine, rat) trifluoroacetate salt (CAS 81858-94-8)
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