N-((5-((Cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide CAS 872620-34-3
| CAS No. | 872620-34-3 |
| Molecular Formula | C12H9FN4O2S |
| Molecular Weight | 292.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-((5-((Cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide (CAS 872620-34-3), molecular formula C12H9FN4O2S and molecular weight 292.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-((5-((Cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide (C12H9FN4O2S) 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 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 292.29 g/mol, it falls into the medium-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), N-((5-((Cyanomethyl)thio)-1,3,4-oxadiazol-2-yl)methyl)-4-fluorobenzamide 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 | C12H9FN4O2S |
| Molecular Weight | 292.29 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 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related N Standards
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Recommended Standards
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