4-[(2,2,2-trifluoroethane)sulfonyl]benzoic acid CAS 1016827-86-3
| CAS No. | 1016827-86-3 |
| Molecular Formula | C9H7F3O4S |
| Molecular Weight | 268.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO supplies 4-[(2,2,2-trifluoroethane)sulfonyl]benzoic acid (CAS 1016827-86-3), a certified reference material (molecular formula C9H7F3O4S, MW 268.21 g/mol) for analytical method development and quality control.
4-[(2,2,2-trifluoroethane)sulfonyl]benzoic acid (C9H7F3O4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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 presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C9H7F3O4S |
| Molecular Weight | 268.21 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.) | 1988 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related trifluoroethane Standards
- Sodium 2,2,2-trifluoroethane-1-sulfinate (CAS 234434-08-3)
- 2,2,2-Trifluoroethane-1-sulfonamide (CAS 67497-95-4)
- 2,2,2-trifluoroethane-1-sulfinamide (CAS 1803591-85-6)
- 2,2,2-Trifluoroethane-1,1-diol (CAS 421-53-4)
- 1,1,1-Trifluoroethane (Freon #143A) (CAS 420-46-2)
- 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(1,3,5-trimethyl-1lambda5-benzene) (CAS 1314534-82-1)
Recommended Standards
- 2-(methylsulfonyl)-5-(trifluoromethyl)benzoic acid (CAS 1000339-64-9)
- 4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde (CAS 1032506-87-8)
- 4-Bromo-2-hydrazinyl-5-(isopropylthio)thiazole (CAS 2054999-28-7)
- 4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde (CAS 1048915-82-7)
- N-Benzyl-4-nitro-1H-pyrazole-3-carboxamide (CAS 405278-65-1)
- 1,7-Naphthyridine 7-oxide (CAS 27305-53-9)
- (2-Bromo-6-chloropyridin-4-yl)methanamine (CAS 1060815-63-5)
- 5-Hydroxy-3-(pent-4-en-1-yl)pyrazin-2(1H)-one (CAS 187997-07-5)
- 6-Chloro-2-fluoro-3-methylpyridine (CAS 1227598-47-1)
- 2-(4-Chlorophenyl)-6-nitro-1H-benzo[d]imidazol-1-yl dimethylcarbamate (CAS 860609-01-4)
- Methyl 2-(5-fluoro-6-methylbenzofuran-3-yl)acetate (CAS 1420792-53-5)
- 5-Benzylisophthalohydrazide (CAS 2113694-50-9)
- 3-(5-Methylthiophen-2-yl)-N-(prop-2-yn-1-yl)acrylamide (CAS 1258829-18-3)
- Semaglutide impurity 39 (CAS CATO-C4X-222639)
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