[1-(3,4-Dichlorobenzoyl)-4-fluoropiperidin-4-yl]methyl 4-methylbenzene-1-sulfonate CAS 208111-55-1
| CAS No. | 208111-55-1 |
| Molecular Formula | C20H20Cl2FNO4S |
| Molecular Weight | 460.35 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 [1-(3,4-Dichlorobenzoyl)-4-fluoropiperidin-4-yl]methyl 4-methylbenzene-1-sulfonate.
[1-(3,4-Dichlorobenzoyl)-4-fluoropiperidin-4-yl]methyl 4-methylbenzene-1-sulfonate (CAS 208111-55-1), molecular formula C20H20Cl2FNO4S and molecular weight 460.35 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, [1-(3,4-Dichlorobenzoyl)-4-fluoropiperidin-4-yl]methyl 4-methylbenzene-1-sulfonate (C20H20Cl2FNO4S) contains a flavonoid core, 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 460.35 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C20H20Cl2FNO4S |
| Molecular Weight | 460.35 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.) | 2016 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Dichlorobenzoyl Standards
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- 1-(2,6-Dichlorobenzoyl)-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine (CAS 866152-68-3)
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- 4-(2,4-Dichlorobenzoyl)-N-dodecyl-1H-pyrrole-2-carboxamide (CAS 672949-68-7)
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Recommended Standards
- Rhein 8-ß-D-Glucuronide (CAS 70793-10-1)
- 2-(3-(6-((2,4-Dichlorophenethyl)amino)-2-methoxypyrimidin-4-yl)phenyl)-2-methylpropanoic acid (CAS 885066-67-1)
- Rhein acyl-β-D-glucuronide (CAS 190605-03-9)
- 3-phenyl-1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CAS 943323-25-9)
- 4-(Bromomethyl)-7-hydroxy-2H-chromen-2-one (CAS 161798-25-0)
- 2,3-Dihydro-1H-indene-2-sulfonyl chloride (CAS 496946-74-8)
- 1-bromo-N-tert-butylmethanesulfonamide (CAS 51270-36-1)
- 2H-chromene-8-carboxylic acid (CAS 1935147-76-4)
- 3-[(4-Chlorobenzenesulfonyl)methyl]-4-(1H-pyrrol-1-yl)benzonitrile (CAS 454473-77-9)
- 2,6-Dichloro-8,9-dimethyl-9H-purine (CAS 1474018-06-8)
- Tris(2,4-dimethylphenyl)phosphine (CAS 49676-42-8)
- 1-(2-methoxy-4-nitrophenyl)-4-methyl-1H-imidazole (CAS 958245-17-5)
- 3-Chloro-7-(piperidin-1-yl)-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 1437453-83-2)
- Semaglutide impurity 56 (CAS CATO-C4X-222656)
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