2-((3,4,4-Trifluorobut-3-en-1-yl)thio)nicotinic acid CAS 453557-66-9
| CAS No. | 453557-66-9 |
| Molecular Formula | C10H8F3NO2S |
| Molecular Weight | 263.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 2-((3,4,4-Trifluorobut-3-en-1-yl)thio)nicotinic acid (CAS 453557-66-9), a certified reference material (molecular formula C10H8F3NO2S, MW 263.24 g/mol) for analytical method development and quality control.
2-((3,4,4-Trifluorobut-3-en-1-yl)thio)nicotinic acid (C10H8F3NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, 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.
As a certified reference material (CRM), 2-((3,4,4-Trifluorobut-3-en-1-yl)thio)nicotinic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C10H8F3NO2S |
| Molecular Weight | 263.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 6.0 |
| 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 Trifluorobut Standards
- 2-((3,4,4-Trifluorobut-3-en-1-yl)thio)benzoic acid (CAS 672951-84-7)
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- 6-Ethyl-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-3,4-dihydropyrimidin-4-one (CAS 439111-13-4)
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- 2-((3,4,4-Trifluorobut-3-en-1-yl)thio)-1H-benzo[d]imidazole (CAS 338750-29-1)
- 1-(3,4,4-Trifluorobut-3-ene-1-sulfonyl)cyclopropane-1-carboxylic acid (CAS 478247-83-5)
- 2-[(3,4,4-Trifluorobut-3-en-1-yl)sulfanyl]quinoxaline (CAS 148515-90-6)
- 4-((3,4,4-Trifluorobut-3-en-1-yl)sulfonyl)-1,2-dihydro-3H-pyrazol-3-one (CAS 321341-11-1)
Recommended Standards
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- Methyl 3-amino-5-(methylsulfonamido)benzoate (CAS 927910-91-6)
- Tau Peptide (304-318) trifluoroacetate salt (CAS 330456-49-0)
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