1-[3-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid CAS 630049-57-9
| CAS No. | 630049-57-9 |
| Molecular Formula | C13H14F3NO4S |
| Molecular Weight | 337.31 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-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid.
CATO supplies 1-[3-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid (CAS 630049-57-9), a certified reference material (molecular formula C13H14F3NO4S, MW 337.31 g/mol) for analytical method development and quality control.
1-[3-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid (C13H14F3NO4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C13H14F3NO4S |
| Molecular Weight | 337.31 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.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related trifluoromethyl Standards
- 1-[2-(trifluoromethyl)benzenesulfonyl]piperidine-4-carboxylic acid (CAS 727717-69-3)
- 4-{2-[4-(Trifluoromethyl)anilino]-1,3-thiazol-5-yl}-2-pyrimidinamine (CAS 1823183-29-4)
- 3-((1-(3-(Trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)oxy)propan-1-ol (CAS 34580-73-9)
- 3-(3-(Trifluoromethyl)benzyl)-2H-benzo[e][1,3]thiazine-2,4(3H)-dione (CAS 338415-53-5)
- 3-{[2-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,3-benzothiazine-2,4-dione (CAS 338415-51-3)
- 3-Phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbohydrazide (CAS 478048-36-1)
- N-(4-(3-(Trifluoromethyl)phenoxy)but-2-yn-1-yl)cyclohex-3-ene-1-carboxamide (CAS 1421505-66-9)
- 4-(4-(4-(Trifluoromethyl)phenoxy)piperidin-1-yl)phenol (CAS 681509-01-3)
Recommended Standards
- N-Benzyl-2,4-dinitrobenzenesulfonamide (CAS 57620-22-1)
- (2S,2'S,2''S)-2,2',2''-((Phosphinetriyltris(methylene))tris(azanediyl))tripropanoic acid (CAS 474713-63-8)
- 644976-57-8 Ethyl (2S)-1-(4-methylbenzene-1-sulfonyl)-2-(trifluoromethyl)aziridine-2-carboxylate DTXSID30718641 (CAS 644976-57-8)
- Ruxolitinib Impurity 99 (CAS CATO-C4X-205899)
- 4-(Hexyloxy)-3-methoxybenzaldehyde (CAS 61096-84-2)
- 1-oxa-7-azaspiro[4.4]nonane;hydrochloride (CAS 1419590-81-0)
- 2,6-difluoro-3-nitro-pyridine (CAS 58602-02-1)
- 4-((3-Chlorophenyl)thio)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CAS 339011-03-9)
- Ethyl 3-(3-methylthiophen-2-yl)-3-oxopropanoate (CAS 250375-44-1)
- 3-Bromo-4-(hydroxymethyl)benzaldehyde (CAS 1459189-72-0)
- D-Phg-Pasireotide (CAS CATO-C4X-20089)
- 4,5-Dihydroxyimidazolidine-2-thione (CAS 3891-25-6)
- Tritylhydrazine (CAS 104933-75-7)
- Semaglutide impurity 255 (CAS CATO-C4X-2226255)
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