2-((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid CAS 387350-44-9
| CAS No. | 387350-44-9 |
| Molecular Formula | C8H6F3NO2S |
| Molecular Weight | 237.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid (CAS 387350-44-9), molecular formula C8H6F3NO2S and molecular weight 237.20 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H6F3NO2S, 2-((4-(Trifluoromethyl)pyridin-3-yl)thio)acetic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 237.20 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C8H6F3NO2S |
| Molecular Weight | 237.20 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
- Methyl 3-((trifluoromethyl)thio)picolinate (CAS 1204234-40-1)
- Methyl 5-((trifluoromethyl)thio)nicotinate (CAS 1860910-16-2)
- (3-(TRifluoromethyl)-4-nitrophenyl)(methyl)sulfane (CAS 54998-75-3)
- 2-((3-(Trifluoromethyl)pyridin-2-yl)thio)acetic acid (CAS 220459-58-5)
- 2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid (CAS 244006-15-3)
- 4-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)benzonitrile (CAS 1059539-29-5)
- 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 1185292-65-2)
- {[2-Methyl-6-(trifluoromethyl)pyridin-3-yl]methylene}malononitrile (CAS 1227955-29-4)
Recommended Standards
- 2-(Methylthio)-6-(trifluoromethyl)nicotinic acid (CAS 280566-32-7)
- 1-{[(tert-butoxy)carbonyl]amino}-2,2-difluorocyclopropane-1-carboxylic acid (CAS 796882-45-6)
- 2-[(2,2,2-trifluoroethyl)thio]nicotinic acid (CAS 929973-57-9)
- (3-Methyl-4-nitrophenyl)(trifluoromethyl)sulfane (CAS 933673-25-7)
- N-(Biotin-PEG4)-N-bis(PEG4-acid) (CAS 2112731-48-1)
- (R)-2-((R)-2-Aminopropanamido)-3-methylbutanoic acid (CAS 1472-66-8)
- trans-4-(methylamino)cyclohexanecarboxylic acid;hydrochloride (CAS 7421-90-1)
- Tris(3,4,5-trifluorophenyl)borane (CAS 148892-97-1)
- 2-Methoxy-N-(4-methoxyphenyl)aniline (CAS 58751-07-8)
- (E)-({5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylidene)amino 2-chlorobenzoate (CAS 321533-89-5)
- 5-((Diethylamino)methyl)-2-methoxyaniline (CAS 857002-41-6)
- 2-(5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-yl)propanenitrile (CAS 2104904-99-4)
- 3-Fluoro-4′-methyl-1,1′-biphenyl (CAS 72093-42-6)
- Semaglutide impurity 289 (CAS CATO-C4X-2226289)
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