2-[(Benzenesulfonyl)methyl]cyclohexane-1,3-dione CAS 339098-50-9
| CAS No. | 339098-50-9 |
| Molecular Formula | C13H14O4S |
| Molecular Weight | 266.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 2-[(Benzenesulfonyl)methyl]cyclohexane-1,3-dione (CAS 339098-50-9), a certified reference material (molecular formula C13H14O4S, MW 266.31 g/mol) for analytical method development and quality control.
Structurally, 2-[(Benzenesulfonyl)methyl]cyclohexane-1,3-dione (C13H14O4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 266.31 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C13H14O4S |
| Molecular Weight | 266.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Sulfur Atoms | 1 |
Related Benzenesulfonyl Standards
- 3-[(benzenesulfonyl)methyl]furan-2-carboxylic acid (CAS 260356-96-5)
- 5-[(benzenesulfonyl)methyl]furan-2-carboxylic acid (CAS 92959-89-2)
- 23378-88-3 Benzenesulfonyl chloride, 3,5-dichloro-2-hydroxy- 3,5-Dichloro-2-hydroxybenzenesulphonyl chloride EINECS 245-619-9 (CAS 23378-88-3)
- 5-[(Benzenesulfonyl)methyl]-2-chloropyridine (CAS 478048-53-2)
- 3-[1-(Benzenesulfonyl)-2-methylpropyl]furan (CAS 551921-84-7)
- 1-(benzenesulfonyl)cyclohexane-1-carboxylic acid (CAS 74254-66-3)
- 2-(benzenesulfonyl)ethane-1-sulfonyl chloride (CAS 64440-81-9)
- 2-(benzenesulfonyl)-2-(thiophen-2-yl)acetonitrile (CAS 130138-43-1)
Recommended Standards
- 2-(4-(4-Fluorophenyl)-2,2-dimethyltetrahydro-2H-pyran-4-yl)acetic acid (CAS 350993-62-3)
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- 1-(4-Fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CAS 221620-96-8)
- 3-Bromo-5-(trichloromethyl)-1,2,4-oxadiazole (CAS 2640111-63-1)
- 4-(Trifluoromethyl)-1h-imidazol-2-amine (CAS 1394042-18-2)
- (2,6-Dimethyl-4-(trifluoromethyl)phenyl)boronic acid (CAS 2225176-37-2)
- (R)-4-(Benzyloxy)-2-methylbutanoic acid (CAS 86227-43-2)
- Ethyl (3S,4R)-1-(tert-butyl)-4-(2,4-difluorophenyl)pyrrolidine-3-carboxylate (CAS 915158-39-3)
- 4-Iodo-2-methyl-1H-pyrrolo[2,3-b]pyridine (CAS 1638760-42-5)
- 2-Cyclopentylprop-2-enoic acid (CAS 117929-78-9)
- Nintedanib Impurity 57 (CAS 1174335-83-1)
- 8-bromo-2,3-dihydro-1,4-benzoxazepin-5-amine (CAS 1628256-49-4)
- 4-Chloro-6-(3-chloro-2-methylphenyl)pyrimidin-2-amine (CAS 1612184-10-7)
- Semaglutide impurity 193 (CAS CATO-C4X-2226193)
Why CATO?
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