3-Trifluoromethanesulfonylbenzoic acid CAS 952-69-2
| CAS No. | 952-69-2 |
| Molecular Formula | C8H5F3O4S |
| Molecular Weight | 254.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 254.18 g/mol gives 3-Trifluoromethanesulfonylbenzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-Trifluoromethanesulfonylbenzoic acid (CAS 952-69-2), a certified reference material (molecular formula C8H5F3O4S, MW 254.18 g/mol) for analytical method development and quality control.
Based on its molecular formula C8H5F3O4S, 3-Trifluoromethanesulfonylbenzoic acid contains a sulfone group, a carboxylic acid group, 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 254.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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.
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 | C8H5F3O4S |
| Molecular Weight | 254.18 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.) | 1957 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Trifluoromethanesulfonylbenzoic Standards
Recommended Standards
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- Phoxim Impurity 3 (CAS 32791-94-9)
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- 3-Iodopicolinaldehyde (CAS 169614-45-3)
- Ethyl 5-cyano-6-(2,3-dichlorophenoxy)-2-phenylpyridine-3-carboxylate (CAS 306980-20-1)
- Methyl 2-(N-(3-cyanopropyl)-4-methylphenylsulfonamido)benzoate (CAS 105895-93-0)
- 3,6-Dibromopicolinonitrile (CAS 1214333-88-6)
- 3-Bromo-4,6-dichloro-2,5-dimethylpyridine (CAS 1256254-36-0)
- 4-Bromo-7,8-dimethyl-2-phenylquinoline (CAS 1189106-18-0)
- 2-Chloro-5-[(phenylsulfonyl)amino]benzoic acid (CAS 1179130-12-1)
- C-Type Natriuretic Peptide (32-53) (human, porcine, rat) (CAS 127869-51-6)
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