6-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-4-(trifluoromethyl)-[2,4'-bipyridine]-5-carbonitrile CAS 625377-04-0
| CAS No. | 625377-04-0 |
| Molecular Formula | C21H12F3N3O3S |
| Molecular Weight | 443.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 6-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-4-(trifluoromethyl)-[2,4'-bipyridine]-5-carbonitrile (C21H12F3N3O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 443.40 g/mol, it falls into the moderately-high-molecular-weight range. 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).
6-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-4-(trifluoromethyl)-[2,4'-bipyridine]-5-carbonitrile (CAS 625377-04-0), molecular formula C21H12F3N3O3S and molecular weight 443.40 g/mol, is a CATO reference standard with documented purity and traceability.
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), 6-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-4-(trifluoromethyl)-[2,4'-bipyridine]-5-carbonitrile 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 | C21H12F3N3O3S |
| Molecular Weight | 443.40 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Benzo Standards
- N-(Benzo[d][1,3]dioxol-5-yl)-2-((3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 503432-54-0)
- 4-(Benzo[d][1,3]dioxol-5-yl)-2-((3-fluorobenzyl)thio)-1,4-dihydro-5H-indeno[1,2-d]pyrimidin-5-one (CAS 383147-26-0)
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Recommended Standards
- 1-(2-Nitrobenzenesulfonyl)-4-[3-(trifluoromethyl)benzoyl]piperazine (CAS 866152-62-7)
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- (3-Amino-6-(pyridin-4-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl)(benzo[d][1,3]dioxol-5-yl)methanone (CAS 626225-23-8)
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