3-((2-Chloro-6-fluorobenzyl)thio)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile CAS 439096-34-1
| CAS No. | 439096-34-1 |
| Molecular Formula | C22H16ClFN2S |
| Molecular Weight | 394.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-((2-Chloro-6-fluorobenzyl)thio)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (C22H16ClFN2S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies 3-((2-Chloro-6-fluorobenzyl)thio)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 439096-34-1), a certified reference material (molecular formula C22H16ClFN2S, MW 394.89 g/mol) for analytical method development and quality control.
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-((2-Chloro-6-fluorobenzyl)thio)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-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 | C22H16ClFN2S |
| Molecular Weight | 394.89 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1-Benzyl-2,4,5-tribromo-1H-imidazole (CAS 31250-80-3)
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- 2-((3,4-Dichlorobenzyl)thio)-N-methyl-6-((phenylthio)methyl)pyrimidin-4-amine (CAS 341965-56-8)
- 4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzaldehyde (CAS 311322-41-5)
- cis-tert-Butyl 3-hydroxy-2,2,4,4-(tetramethyl)cyclobutylcarbamate (CAS 1363381-85-4)
- 6-Chloro-4-(4-fluoro-2-methylphenyl)-N-methylpyridin-3-amine (CAS 825643-62-7)
- 3,5-Dimethyl-5-(pyridin-2-yl)-1,3,4-thiadiazolidine-2-thione (CAS 74752-62-8)
- tert-Butyl[1-(2-fluorobenzyl)piperidin-4-yl]methylcarbamate (CAS 1286264-42-3)
- Ethyl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 400075-29-8)
- (1S,2S,3R)-Diethyl 3-(4-fluorophenyl)-4-oxocyclohexane-1,2-dicarboxylate (CAS 860642-62-2)
- 5-Amino-1-methyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4(1h,3h)-dione (CAS 1342465-45-5)
- Tirzepatide Impurity 35 (CAS CATO-C4X-324035)
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