6-chloro-4-[(4-chlorophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid CAS 866134-68-1
| CAS No. | 866134-68-1 |
| Molecular Formula | C15H11Cl2NO5S |
| Molecular Weight | 388.22 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 6-chloro-4-[(4-chlorophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid.
6-chloro-4-[(4-chlorophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866134-68-1), molecular formula C15H11Cl2NO5S and molecular weight 388.22 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 6-chloro-4-[(4-chlorophenyl)sulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (C15H11Cl2NO5S) 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H11Cl2NO5S |
| Molecular Weight | 388.22 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; 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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- 2-(3,5-Difluoro-4-propoxyphenyl)ethan-1-ol (CAS 1443310-35-7)
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