3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate CAS 477864-72-5
| CAS No. | 477864-72-5 |
| Molecular Formula | C11H7F3N2O2S |
| Molecular Weight | 288.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 288.25 g/mol gives 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (CAS 477864-72-5), molecular formula C11H7F3N2O2S and molecular weight 288.25 g/mol, is a CATO reference standard with documented purity and traceability.
3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate (C11H7F3N2O2S) 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, 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), 3-(Trifluoromethyl)phenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate 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 | C11H7F3N2O2S |
| Molecular Weight | 288.25 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
- 2-{[3-(trifluoromethyl)phenyl]amino}-1,3-thiazole-4-carboxylic acid (CAS 1172391-60-4)
- 2-((2-(Trifluoromethyl)phenyl)amino)thiazole-4-carboxylic acid (CAS 1526823-08-4)
- 2-((4-(Trifluoromethyl)phenyl)amino)thiazole-4-carboxylic acid (CAS 728918-58-9)
- Methyl 4-(((trifluoromethyl)sulfonyl)-oxy)cyclohex-3-enecarboxylate (CAS 1245649-70-0)
- Ethyl 2-[3-(trifluoromethyl)benzoyl]butanoate (CAS 1304404-62-3)
- 4-{[4-(Trifluoromethyl)phenyl]methyl}oxane-4-carboxylic acid (CAS 1385696-45-6)
- 4-{[3-(Trifluoromethyl)phenyl]methyl}oxane-4-carboxylic acid (CAS 1385696-63-8)
- 4-(2-(Trifluoromethyl)benzyl)tetrahydro-2h-pyran-4-carboxylic acid (CAS 1385696-83-2)
Recommended Standards
- 3-(propan-2-yl)benzonitrile (CAS 40751-59-5)
- 3,3',3''-(Benzene-1,3,5-triyl)triacrylic acid (CAS 41009-88-5)
- 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)prop-2-en-1-one (CAS 38081-56-0)
- 3,3'-Methylenebis(2-hydroxybenzoic acid) (CAS 5578-67-6)
- Hexamethyldisiloxane (CAS 107-46-0)
- Ethyl 4,5-Dimethylthiophene-3-carboxylate (CAS 19156-44-6)
- 1-(2-Methylpiperidin-1-yl)decan-1-one (CAS 4629-12-3)
- 2,2-Diphenyl-1,3-dithiane (CAS 10359-08-7)
- 4’-(Difluoromethoxy)-3’-hydroxyacetophenone (CAS 885132-72-9)
- 2-Bromo-4-iodo-5-nitropyridine (CAS 1805506-86-8)
- n-Isopropyl-1,2,3,4-tetrahydroquinoline-5-carboxamide (CAS 923190-93-6)
- 3-Cyclohexyl-3H-[1,2,3]triazolo[4,5-b]pyridine (CAS 62052-30-6)
- n-((1h-Pyrazol-3-yl)methyl)-3-(1h-pyrazol-1-yl)propanamide (CAS 1250565-35-5)
- [Plus-β-Ala28]-Semaglutide (CAS CATO-C4X-2226221)
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