6-[(trifluoromethyl)sulfanyl]pyridine-3-carboxylic acid CAS 1248802-41-6
| CAS No. | 1248802-41-6 |
| Molecular Formula | C7H4F3NO2S |
| Molecular Weight | 223.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
6-[(trifluoromethyl)sulfanyl]pyridine-3-carboxylic acid (CAS 1248802-41-6), molecular formula C7H4F3NO2S and molecular weight 223.17 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-[(trifluoromethyl)sulfanyl]pyridine-3-carboxylic acid (C7H4F3NO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 223.17 g/mol, it falls into the medium-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).
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 | C7H4F3NO2S |
| Molecular Weight | 223.17 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related trifluoromethyl Standards
- 3-((Trifluoromethyl)thio)picolinic acid (CAS 1204234-50-3)
- 5-((Trifluoromethyl)thio)nicotinic acid (CAS 1204234-63-8)
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- 5-((Trifluoromethyl)thio)picolinic acid (CAS 1408279-53-7)
- 2-[(trifluoromethyl)sulfanyl]pyridine-3-carboxylic acid (CAS 929971-69-7)
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- 4-Phenyl-2-(trifluoromethyl)pyridine (CAS 1262683-00-0)
Recommended Standards
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- N-Methyl-3-(1,1,2,2-tetrafluoroethoxy)aniline (CAS 1233518-27-8)
- 1-(3-Fluorophenyl)-2-(trifluoromethoxy)ethan-1-amine (CAS 1334147-19-1)
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- (E)-2-(4-(2-Cyano-3-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-3-oxoprop-1-en-1-yl)phenoxy)acetic acid (CAS 745808-43-9)
- tert-Butyl ((1S,2R)-2-(hydroxymethyl)cyclohexyl)carbamate (CAS 179686-77-2)
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- 2-(4-(Difluoromethyl)-6-(1,3-dimethyl-1h-pyrazol-4-yl)-3-methyl-1h-pyrazolo[3,4-b]pyridin-1-yl)acetic acid (CAS 1006444-98-9)
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- (R)-2-(3-Chloro-2-hydroxypropoxy)isoindoline-1,3-dione (CAS 338786-76-8)
- 4-Chlorobenzyl 4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbamoyl)thiazol-2-yl)piperazine-1-carboxylate (CAS 1141394-87-7)
- Tirzepatide Impurity 16 (CAS CATO-C4X-324016)
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