2,2-Dimethyl-4-oxo-7-[(trifluoromethane)sulfonylox y]-2,4-dihydro-1,3-benzodioxin-5-yltrifluorometha CAS 603044-07-1
| CAS No. | 603044-07-1 |
| Molecular Formula | C12H8F6O9S2 |
| Molecular Weight | 474.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 474.31 g/mol gives 2,2-Dimethyl-4-oxo-7-[(trifluoromethane)sulfonylox y]-2,4-dihydro-1,3-benzodioxin-5-yltrifluorometha distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2,2-Dimethyl-4-oxo-7-[(trifluoromethane)sulfonylox y]-2,4-dihydro-1,3-benzodioxin-5-yltrifluorometha (CAS 603044-07-1), molecular formula C12H8F6O9S2 and molecular weight 474.31 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2,2-Dimethyl-4-oxo-7-[(trifluoromethane)sulfonylox y]-2,4-dihydro-1,3-benzodioxin-5-yltrifluorometha (C12H8F6O9S2) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 474.31 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C12H8F6O9S2 |
| Molecular Weight | 474.31 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Sulfur Atoms | 2 |
Related Dimethyl Standards
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Recommended Standards
- Ro 51 (CAS 1050670-85-3)
- Methyl 4-[4-(2,4-dichlorobenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoate (CAS 478246-59-2)
- Ethyl 5-[(2,4-dichlorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate (CAS 338957-02-1)
- (3-Bromo-2,6-dimethoxypyridin-4-yl)bis(3,5-dimethylphenyl)phosphine oxide (CAS 442686-32-0)
- cis-3-Phenylcyclohexanamine hydrochloride (CAS 19988-42-2)
- 1-(5-Methylnaphthalen-1-yl)ethan-1-one (CAS 67757-61-3)
- 1-Methyl-1,2,3,4-tetrahydroisoquinolin-6-ol hydrobromide (CAS 25939-85-9)
- 1-(2-Methoxyethyl)-5-phenyl-1H-imidazol-2-amine (CAS 842973-94-8)
- tert-Butyl 2-(pyridin-2-ylmethyl)piperazine-1-carboxylate (CAS 886778-81-0)
- N-(2,6-Diphenylpyrimidin-4-yl)-4-methoxybenzamide (CAS 820961-39-5)
- (4-(4-(Trifluoromethyl)phenoxy)phenyl)boronic acid (CAS 1415824-94-0)
- tert-Butyl 1',2'-dihydrospiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-1-carboxylate (CAS 857730-11-1)
- (R)-1-(4-(trifluoromethyl)phenyl)butan-1-amine (CAS 869318-96-7)
- Peptide Impurity 26 (CAS 1350456-66-4)
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