3-(Chlorosulfonyl)-2,2-dimethylpropanoic acid CAS 1506695-03-9
| CAS No. | 1506695-03-9 |
| Molecular Formula | C5H9ClO4S |
| Molecular Weight | 200.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C5H9ClO4S, 3-(Chlorosulfonyl)-2,2-dimethylpropanoic acid contains a carbohydrate-derived structure, a sulfone group, chlorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 200.64 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.
3-(Chlorosulfonyl)-2,2-dimethylpropanoic acid (CAS 1506695-03-9) is a high-purity analytical reference standard with the molecular formula C5H9ClO4S and a molecular weight of 200.64 g/mol.
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 | C5H9ClO4S |
| Molecular Weight | 200.64 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, water |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related Chlorosulfonyl Standards
- Ethyl 3-(Chlorosulfonyl)propionate (CAS 103472-25-9)
- 3-Chlorosulfonyl-butyric acid methyl ester (CAS 1154388-34-7)
- 3-(Chlorosulfonyl)propyl acetate (CAS 81692-70-8)
- Ethyl 2-(chlorosulfonyl)propanoate (CAS 20449-09-6)
- Methyl 2-(chlorosulfonyl)-2-methylpropanoate (CAS 55896-98-5)
- Methyl 3-(chlorosulfonyl)-2-methylpropanoate (CAS 927966-06-1)
- Methyl 4-chlorosulfonyl-butanoate (CAS 81926-28-5)
- 2-(chlorosulfonyl)-1,3-dimethoxypropane (CAS 1871639-57-4)
Recommended Standards
- (4-Chloro-3-fluorophenyl)(cyclopropyl)methanol (CAS 1443342-24-2)
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- 1-(4-Chloro-3-fluorophenyl)butan-2-one (CAS 1443339-22-7)
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