2-((5-(4-Fluorophenyl)-1,2,4-triazin-3-yl)thio)benzoic acid CAS 87992-31-2
| CAS No. | 87992-31-2 |
| Molecular Formula | C16H10FN3O2S |
| Molecular Weight | 327.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((5-(4-Fluorophenyl)-1,2,4-triazin-3-yl)thio)benzoic acid (CAS 87992-31-2) is a high-purity analytical reference standard with the molecular formula C16H10FN3O2S and a molecular weight of 327.33 g/mol.
2-((5-(4-Fluorophenyl)-1,2,4-triazin-3-yl)thio)benzoic acid (C16H10FN3O2S) 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, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C16H10FN3O2S |
| Molecular Weight | 327.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 1-Amino-4-benzoylanthracene-9,10-dione (CAS 53382-19-7)
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- 2-Methylnaphth[1,2-d]oxazole (CAS 85-15-4)
- Benzyl 1,6-diazaspiro[3.4]octane-1-carboxylate (CAS 1158749-80-4)
- 3-Amino-N-ethylpyrrolidine-1-carboxamide (CAS 1249451-05-5)
- 2,5-Dichloro-3-(difluoromethoxy)benzyl chloride (CAS 1807184-86-6)
- N-[(2,4-Dichlorophenyl)methyl]-2H-chromene-3-carboxamide (CAS 338760-96-6)
- 5-(3,3-Difluoroazetidin-1-yl)picolinaldehyde (CAS 1707581-14-3)
- 3-Amino-6-methylpyridazine-4-carboxylic acid (CAS 20886-75-3)
- Ethyl 5-chloro-6-fluoronicotinate (CAS 1214362-87-4)
- Semaglutide impurity 36 (CAS CATO-C4X-222636)
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