3-(Pyrrolidin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole 4-methylbenzenesulfonate CAS 2305079-61-0
| CAS No. | 2305079-61-0 |
| Molecular Formula | C7H8F3N3O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(Pyrrolidin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole 4-methylbenzenesulfonate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-(Pyrrolidin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole 4-methylbenzenesulfonate (CAS 2305079-61-0) is a high-purity analytical reference standard with the molecular formula C7H8F3N3OC7H8O3S and a molecular weight of 379.35 g/mol.
Structurally, 3-(Pyrrolidin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole 4-methylbenzenesulfonate (C7H8F3N3OC7H8O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. 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 379.35 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
As a certified reference material (CRM), 3-(Pyrrolidin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole 4-methylbenzenesulfonate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C7H8F3N3O C7H8O3S |
| Molecular Weight | 379.35 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Pyrrolidin Standards
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Recommended Standards
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- [1,1'-Biphenyl]-4-carbonyl fluoride (CAS 2714-87-6)
- 1,5-Dimethyl-3,7-diaza-bicyclo[3.3.1]nonan-9-onedihydrochloride (CAS 172882-04-1)
- N-(4-aminophenyl)-2-(piperidin-1-yl)acetamide (CAS 100450-98-4)
- [4-phenyl-5-(trifluoromethyl)-2-thienyl]methyl N-(tert-butyl)carbamate (CAS 256425-43-1)
- (2-(4-Bromophenoxy)phenyl)methanol (CAS 74744-79-9)
- 2-(2-Aminoethyl)-6-(thiophen-2-yl)pyridazin-3(2h)-one (CAS 1105192-79-7)
- Insulin Detemir (CAS 169148-63-4)
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