3-((2-Chloro-6-fluorobenzyl)thio)-4H-benzo[b][1,4]thiazine 1,1-dioxide CAS 477868-97-6
| CAS No. | 477868-97-6 |
| Molecular Formula | C15H11ClFNO2S2 |
| Molecular Weight | 355.83 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 3-((2-Chloro-6-fluorobenzyl)thio)-4H-benzo[b][1,4]thiazine 1,1-dioxide.
3-((2-Chloro-6-fluorobenzyl)thio)-4H-benzo[b][1,4]thiazine 1,1-dioxide (CAS 477868-97-6), molecular formula C15H11ClFNO2S2 and molecular weight 355.83 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-((2-Chloro-6-fluorobenzyl)thio)-4H-benzo[b][1,4]thiazine 1,1-dioxide (C15H11ClFNO2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/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 355.83 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C15H11ClFNO2S2 |
| Molecular Weight | 355.83 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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 | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Chloro Standards
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Recommended Standards
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- (Z)-2-(1-((S)-1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl)-4-mercaptopiperidin-3-ylidene)acetic acid (CAS 1148015-30-8)
- methyl 8-(3-{[(4-fluorophenyl)sulphonyl]methyl}-1,2,4-oxadiazol-5-yl)octanoate (CAS 680215-96-7)
- N-(2-(1H-indol-3-yl)ethyl)-4-aminobutanamide (CAS 219694-79-8)
- Octyl 6-chloro-2-(p-tolyl)quinoline-4-carboxylate (CAS 355421-13-5)
- Ethyl 5-(2-chlorophenyl)-1H-pyrazole-3-carboxylate (CAS 1239478-46-6)
- Tert-butyl (S)-(2,5-dioxopyrrolidin-3-yl)carbamate (CAS 124842-29-1)
- 4-[(4-Chloro-1-naphthyl)oxy]-3-methylphenylamine (CAS 83054-66-4)
- 2-Methyl-[1,3]bipyrrolidinyl (CAS 1803599-37-2)
- S-Allylmercaptocysteine (CAS 2281-22-3)
- 5-Bromo-4-cyclopropoxy-2-(trifluoromethyl)pyridine (CAS 1243375-68-9)
- Mast Cell Degranulating Peptide (CAS 83856-13-7)
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