(2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}prop-2-enenitrile CAS 866019-60-5
| CAS No. | 866019-60-5 |
| Molecular Formula | C22H13ClN2O4S |
| Molecular Weight | 436.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 436.87 g/mol gives (2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}prop-2-enenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}prop-2-enenitrile (CAS 866019-60-5) is a high-purity analytical reference standard with the molecular formula C22H13ClN2O4S and a molecular weight of 436.87 g/mol.
The molecular framework of (2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}prop-2-enenitrile (C22H13ClN2O4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), (2Z)-2-(2H-1,3-Benzodioxol-5-yl)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}prop-2-enenitrile 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 | C22H13ClN2O4S |
| Molecular Weight | 436.87 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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