1-{[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl}piperidine-4-carboxylic acid CAS 727718-06-1
| CAS No. | 727718-06-1 |
| Molecular Formula | C13H13ClF3NO4S |
| Molecular Weight | 371.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-{[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl}piperidine-4-carboxylic acid (CAS 727718-06-1), molecular formula C13H13ClF3NO4S and molecular weight 371.76 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-{[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl}piperidine-4-carboxylic acid (C13H13ClF3NO4S) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 371.76 g/mol, it falls into the moderately-high-molecular-weight range. 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).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C13H13ClF3NO4S |
| Molecular Weight | 371.76 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related chloro Standards
- 1-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid (CAS 727718-11-8)
- 2-(4-Chloro-2-methylphenoxy)-N-(3,5-dimethoxyphenyl)-2,2-difluoroacetamide (CAS 400087-84-5)
- (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 4-nitrobenzoate (CAS 318234-22-9)
- 4-Chloro-N-(2-dimethylamino-ethyl)-N-(5-trifluoromethyl-pyridin-2-yl)-benzamide (CAS 1311279-11-4)
- (Z)-3-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)-2-propenenitrile (CAS 477762-22-4)
- 2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 317820-39-6)
- 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(1E)-(methoxyimino)methyl]-2-phenylacetamide (CAS 338406-96-5)
- 3-Chloro-N-((2-methyl-3-phenylisoxazolidin-5-yl)methyl)-5-(trifluoromethyl)pyridin-2-amine (CAS 400085-33-8)
Recommended Standards
- 1-(4-Chlorophenyl)-3-[6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]urea (CAS 439094-99-2)
- 4-(2-Chlorophenyl)-5-(4-(trifluoromethoxy)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 263707-21-7)
- Methyl 3-[(4-chlorobenzenesulfonyl)oxy]-4-nitrobenzoate (CAS 297149-80-5)
- 4-(4-Chlorophenyl)-5-(4-(trifluoromethoxy)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 263707-20-6)
- 3,5-Dichloro-2,4-dihydroxy-benzoic acid (CAS 59119-79-8)
- 1-(4-fluorophenyl)-5-propyl-1H-pyrazole-4-carboxylic acid (CAS 924644-70-2)
- 1-(2-Chloro-4-hydroxyphenyl)-4-oxo-7-(pyridin-4-yl)-1,4-dihydroquinoline-3-carboxamide (CAS 164261-17-0)
- 7-methoxy-3,4-dihydroisoquinoline (CAS 184913-19-7)
- 2-(chloromethyl)-5-(propan-2-yl)-1,3,4-thiadiazole (CAS 1260670-84-5)
- Alfadolone Acetate (CAS 23930-37-2)
- N-(3-(1-((4-Fluorophenyl)sulfonyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide (CAS 851782-83-7)
- 3-[(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl]-4-hydroxy-Benzoic acid methyl ester (CAS 214601-17-9)
- MN-18 (CAS 1391484-80-2)
- Semaglutide Impurity 125 xTFA Salt (CAS CATO-C4X-2226125)
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