Rofecoxib CAS 162011-90-7
| CAS No. | 162011-90-7 |
| Molecular Formula | C17H14O4S |
| Molecular Weight | 314.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 314.36 g/mol gives Rofecoxib distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Rofecoxib (CAS 162011-90-7), a certified reference material (molecular formula C17H14O4S, MW 314.36 g/mol) for analytical method development and quality control.
Owing to a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, Rofecoxib is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 314.36 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C17H14O4S |
| Molecular Weight | 314.36 g/mol |
| Purity | >95% |
| 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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Sulfur Atoms | 1 |
Related Rofecoxib Standards
Recommended Standards
- Sulfacarbamide Impurity 2 (CAS 526-08-9)
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- 2-((3-Ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-N-phenylacetamide (CAS 1058238-73-5)
- 1-Phenyl-1-(pyrrolidin-1-yl)propan-2-amine (CAS 110153-74-7)
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- 6-chloro-7-(trifluoromethyl)-1H-indole-3-sulfonic acid (CAS 2231234-61-8)
- 3-Amino-3-(4-chlorophenyl)-1-propanol (CAS 68208-26-4)
- 4,6-Dichloro-2-(3-methyl-1H-pyrazol-1-yl)pyrimidine (CAS 1289010-13-4)
- 5-Chloro-2-(chloromethyl)-3-methylbenzofuran (CAS 63639-68-9)
- Ethyl 6-hydroxy-1-(4-methoxyphenyl)-3-methyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS 1160246-05-8)
- 3,5-Dimethylisoxazole-4-carbonyl chloride 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride 3,5-dimethylisoxasole-4-carbonyl chloride 3,5-dimethylisoxazole-4-carbonylchloride 31301-45-8 (CAS 31301-45-8)
- 2-(1-Piperazinyl)ethoxyacetic acid dihydrochloride (CAS 197968-63-1)
- Semaglutide Impurity 192 (CAS CATO-C4X-2226192)
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