3-Methylisoxazol-5-yl trifluoromethanesulfonate CAS 1363210-15-4
| CAS No. | 1363210-15-4 |
| Molecular Formula | C5H4F3NO4S |
| Molecular Weight | 231.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Methylisoxazol-5-yl trifluoromethanesulfonate (CAS 1363210-15-4), molecular formula C5H4F3NO4S and molecular weight 231.15 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Methylisoxazol-5-yl trifluoromethanesulfonate (C5H4F3NO4S) contains a carbohydrate-derived structure, an amide group, a sulfone group, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 231.15 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C5H4F3NO4S |
| Molecular Weight | 231.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methylisoxazol Standards
- 1-Methyl-3-(5-methylisoxazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol (CAS 1260876-64-9)
- 1-(4-((5-Methylisoxazol-3-yl)methoxy)phenyl)ethan-1-one (CAS 1042646-46-7)
- 1-Benzyl-3-(5-methylisoxazol-3-yl)urea (CAS 791817-34-0)
- ({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)acetic acid (CAS 436091-57-5)
- 2-((5-Methylisoxazol-3-yl)oxy)-N-phenylacetamide (CAS 930973-13-0)
- 4-((3-Methylisoxazol-5-yl)methoxy)benzoic acid (CAS 1042778-05-1)
- 4-((5-Methylisoxazol-3-yl)methoxy)benzoic acid (CAS 1042796-18-8)
- 5-(((5-Methylisoxazol-3-yl)methyl)thio)-1,3,4-thiadiazol-2-amine (CAS 875750-30-4)
Recommended Standards
- 3-(3-Fluoro-5-(trifluoromethyl)phenyl)-1H-1,2,4-triazole (CAS 1333154-07-6)
- Methyl 3-(difluoromethyl)-2-nitrobenzoate (CAS 138229-19-3)
- (2-Bromophenyl)(propyl)sulfane (CAS 1332350-80-7)
- Methyl 2-(2,3-difluoro-6-nitrophenyl)acetate (CAS 1429422-50-3)
- 2-Methanesulfonyl-1H-pyrrole (CAS 82511-61-3)
- 5-(3-Methoxyphenyl)-2-methyl-1-pentene (CAS 40463-26-1)
- 1-methyl-5-oxopyrrolidine-3-sulfonyl chloride (CAS 1909326-40-4)
- 1-[2-(piperazin-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione dihydrochloride (CAS 190714-38-6)
- (R)-2-amino-4-(2-(trifluoromethyl)phenyl)butanoic acid (CAS 1260614-29-6)
- 1-(2-(2-(Isobutylamino)pyridin-3-yl)piperidin-1-yl)ethanone (CAS 1352513-26-8)
- 1-Bromo-2-ethyl-3-iodobenzene (CAS 1344998-09-9)
- 1-(Quinazolin-4-yl)piperidine-3-carboxylic acid (CAS 1184535-87-2)
- 1-(4-Nitrophenyl)-2',3',4',9'-tetrahydrospiro[piperidine-4,1'-pyrido[3,4-b]indole] hydrochloride (CAS 317822-52-9)
- Insulin Degludec Impurity 1 (CAS 843666-26-2)
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