3-Chloro-2-mercapto-4-(trifluoromethyl)pyridine CAS 1805117-51-4
| CAS No. | 1805117-51-4 |
| Molecular Formula | C6H3ClF3NS |
| Molecular Weight | 213.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Chloro-2-mercapto-4-(trifluoromethyl)pyridine is closely related to a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Chloro-2-mercapto-4-(trifluoromethyl)pyridine (CAS 1805117-51-4), molecular formula C6H3ClF3NS and molecular weight 213.61 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, an aromatic ring system, 3-Chloro-2-mercapto-4-(trifluoromethyl)pyridine is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 213.61 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C6H3ClF3NS |
| Molecular Weight | 213.61 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 |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 4-Chloro-2-(difluoromethyl)quinoline (CAS 1034269-85-6)
- 2-Chloro-6-(trifluoromethylthio)pyridine (CAS 1204234-32-1)
- 4-Chloro-2-(trifluoromethylthio)pyridine (CAS 1204234-52-5)
- 2-Chloro-3-((trifluoromethyl)thio)pyridine (CAS 1204234-57-0)
- 2-Chloro-5-((trifluoromethyl)thio)pyridine (CAS 1204234-95-6)
- 5-Chloro-2-mercapto-3-(trifluoromethyl)pyridine (CAS 121307-81-1)
- 6-Chloro-4-(trifluoromethyl)pyridine-2(1H)-thione (CAS 121307-83-3)
- 3-Chloro-2-mercapto-6-(trifluoromethyl)pyridine (CAS 1214345-97-7)
Recommended Standards
- 3-Chloro-2-(trifluoromethyl)pyridine-4-thiol (CAS 1805038-94-1)
- 2-(Chlorodifluoromethyl)quinoline (CAS 264920-37-8)
- 5-Chloro-6-(trifluoromethyl)pyridine-3-thiol (CAS 1804883-15-5)
- 2-Chloro-2,2-difluoro-1-(4-hydroxypiperidin-1-yl)ethan-1-one (CAS 478258-79-6)
- Methyl 2-cyano-2-(3-oxocyclohexyl)acetate (CAS 1354642-73-1)
- N-(5-Bromo-2-hydroxypyridin-3-yl)formamide (CAS 1820683-69-9)
- (E)-N-(2-Fluoro-5-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)amino)phenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide (CAS 319460-94-1)
- 17α-Methyl-androstan-3-hydroxyimine-17β-ol (CAS 2722-75-0)
- 5-Bromo-6-hydroxypyridine-3-sulfonic acid (CAS 577985-06-9)
- 2-Fluoro-4-iodo-1-methoxy-3-nitrobenzene (CAS 2140316-47-6)
- 2-(Aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxaldehyde (CAS 1806760-78-0)
- 4-Bromo-1-((tetrahydrofuran-3-yl)methyl)-1h-pyrazol-3-amine (CAS 1250066-63-7)
- N,N-Diethyl-4-{[(2-methylpropyl)amino]methyl}aniline (CAS 893589-74-7)
- Tau Peptide (273-284) trifluoroacetate salt (CAS 1663490-91-2)
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