2-(4-Chloro-2-fluorobenzenesulfonyl)-2-[(2E)-piperidin-2-ylidene]acetonitrile CAS 1454881-65-2
| CAS No. | 1454881-65-2 |
| Molecular Formula | C13H12ClFN2O2S |
| Molecular Weight | 314.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-(4-Chloro-2-fluorobenzenesulfonyl)-2-[(2E)-piperidin-2-ylidene]acetonitrile.
2-(4-Chloro-2-fluorobenzenesulfonyl)-2-[(2E)-piperidin-2-ylidene]acetonitrile (CAS 1454881-65-2), molecular formula C13H12ClFN2O2S and molecular weight 314.76 g/mol, is a CATO reference standard with documented purity and traceability.
2-(4-Chloro-2-fluorobenzenesulfonyl)-2-[(2E)-piperidin-2-ylidene]acetonitrile (C13H12ClFN2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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).
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.
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 | C13H12ClFN2O2S |
| Molecular Weight | 314.76 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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- 2-(5-Chloro-2-fluorobenzenesulfonyl)-2-[(2E)-piperidin-2-ylidene]acetonitrile (CAS 1454881-61-8)
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Recommended Standards
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- Tris(1,10-phenanthroline)cobalt(III) Tris(hexafluorophosphate) (CAS 28277-59-0)
- Methyl 6-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxylate (CAS 2106828-11-7)
- 2-(4-Acetyl-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)acetic acid (CAS 33492-33-0)
- 4-(1-Methyl-1H-pyrazol-3-yl)piperidine dihydrochloride (CAS 1956356-29-8)
- Liraglutide Impurity 18 TFA Salt (CAS CATO-C4X-199218)
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