5-Nitro-2-(phenylthio)benzyl 4-methylbenzoate CAS 331459-89-3
| CAS No. | 331459-89-3 |
| Molecular Formula | C21H17NO4S |
| Molecular Weight | 379.43 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 5-Nitro-2-(phenylthio)benzyl 4-methylbenzoate.
5-Nitro-2-(phenylthio)benzyl 4-methylbenzoate (CAS 331459-89-3), molecular formula C21H17NO4S and molecular weight 379.43 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-Nitro-2-(phenylthio)benzyl 4-methylbenzoate (C21H17NO4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 5-Nitro-2-(phenylthio)benzyl 4-methylbenzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H17NO4S |
| Molecular Weight | 379.43 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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