2-(1,1-Dioxidothiomorpholino)-2-phenylethyl 3,4-dichlorobenzoate CAS 338962-92-8
| CAS No. | 338962-92-8 |
| Molecular Formula | C19H19Cl2NO4S |
| Molecular Weight | 428.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-(1,1-Dioxidothiomorpholino)-2-phenylethyl 3,4-dichlorobenzoate (C19H19Cl2NO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 428.33 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
2-(1,1-Dioxidothiomorpholino)-2-phenylethyl 3,4-dichlorobenzoate (CAS 338962-92-8), molecular formula C19H19Cl2NO4S and molecular weight 428.33 g/mol, is a CATO reference standard with documented purity and traceability.
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), 2-(1,1-Dioxidothiomorpholino)-2-phenylethyl 3,4-dichlorobenzoate 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 | C19H19Cl2NO4S |
| Molecular Weight | 428.33 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Dibromo Malonamide (CAS 73003-80-2)
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- Methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride (CAS 2007908-42-9)
- 2-Ethyl-3-oxo-2,3,5,6,7,8-hexahydrocinnoline-6-carboxylic acid (CAS 1708264-04-3)
- ethyl 3-(3-cyanophenyl)-3-oxopropanoate (CAS 62088-13-5)
- [(1S,3R)-3-aminocyclopentyl]methanol (CAS 1110772-11-6)
- (S)-1-(tert-butyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 2565790-01-2)
- Ethyl 3-(2-bromo-5-fluorophenyl)propanoate (CAS 1057674-00-6)
- Diltiazem Impurity 26 (CAS 2055466-64-1)
- Semaglutide Impurity 21(HO-Ste-L-γGlu-AEEA-AEEA-OH) (CAS 1335440-44-2)
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