1-(3-(Trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethan-1-one CAS 681470-19-9
| CAS No. | 681470-19-9 |
| Molecular Formula | C6H3F3N4OS |
| Molecular Weight | 236.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-(3-(Trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethan-1-one (CAS 681470-19-9), molecular formula C6H3F3N4OS and molecular weight 236.17 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C6H3F3N4OS, 1-(3-(Trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethan-1-one contains an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 236.17 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.
Physical & Chemical Properties
| Molecular Formula | C6H3F3N4OS |
| Molecular Weight | 236.17 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
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- 3-(5-Methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)propanehydrazide (CAS 1001518-86-0)
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- 4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid (CAS 1006461-93-3)
- 8-(Trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CAS 1206200-20-5)
Recommended Standards
- Ethyl 4,4-difluoro-3-oxo-2-(ureidomethylene)butanoate (CAS 1824838-67-6)
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- 3-bromo-1-benzothiophen-7-amine (CAS 1638771-86-4)
- 2-(3,5-Difluorophenyl)pyrimidine-5-carboxylic acid (CAS 933988-73-9)
- 2-(3-Methoxy-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 351456-69-4)
- Fosinopril Impurity 1 (CAS 149760-14-5)
- (((1,1-Dioxidobenzo[b]thiophen-2-yl)methoxy)carbonyl)-L-phenylalanine (CAS 197245-19-5)
- 3-(6-Bromo-1h-benzo[d]imidazol-2-yl)benzoic acid (CAS 1272780-59-2)
- 2-(((tert-Butyldiphenylsilyl)oxy)methyl)anthracene-9,10-dione (CAS 108562-19-2)
- Silver(I) sulfite (CAS 13465-98-0)
- 1-(4-Chloro-3-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one (CAS 721407-95-0)
- tert-Butyl (3-formyl-2-nitrophenyl)carbamate (CAS 1823865-37-7)
- Methyl 5-acetamido-4-bromofuran-2-carboxylate (CAS 2138550-12-4)
- Insulin Degludec Impurity 9 (CAS CATO-C4X-21579)
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