2-(methylsulfonyl)-5-(trifluoromethyl)benzoic acid CAS 1000339-64-9
| CAS No. | 1000339-64-9 |
| Molecular Formula | C9H7F3O4S |
| Molecular Weight | 268.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 268.21 g/mol gives 2-(methylsulfonyl)-5-(trifluoromethyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(methylsulfonyl)-5-(trifluoromethyl)benzoic acid (CAS 1000339-64-9) is a high-purity analytical reference standard with the molecular formula C9H7F3O4S and a molecular weight of 268.21 g/mol.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 2-(methylsulfonyl)-5-(trifluoromethyl)benzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 268.21 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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 | 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 methylsulfonyl Standards
- 3-(Methylsulfonyl)-5-(trifluoromethyl)benzoic acid (CAS 53985-43-6)
- 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic Acid (CAS 142994-06-7)
- {4-[(Methylsulfonyl)amino]-1H-indol-1-yl}acetic acid (CAS 1431565-56-8)
- 1-(Methylsulfonyl)-N-phenylpyrrolidine-2-carboxamide (CAS 1219213-24-7)
- (4-(Methylsulfonyl)piperidin-1-yl)(pyridin-4-yl)methanone (CAS 1448123-53-2)
- 1-[3-(Methylsulfonyl)phenyl]cyclopentanecarboxylic Acid (CAS 1891969-16-6)
- (3-(Methylsulfonyl)phenyl)(piperazin-1-yl)methanone (CAS 926232-56-6)
- N-(1-(Methylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)acetamide (CAS 955595-44-5)
Recommended Standards
- 4-Bromo-2-hydrazinyl-5-(isopropylthio)thiazole (CAS 2054999-28-7)
- 4-[(2,2,2-trifluoroethane)sulfonyl]benzoic acid (CAS 1016827-86-3)
- 1-(Dimethoxyphosphoryl)ethyl methyl succinate (CAS 61684-65-9)
- 4'-Fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde (CAS 1032506-87-8)
- N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (CAS 380346-66-7)
- 2,2-Dimethoxy-3-(phosphonooxy)propanoic Acid Potassium Salt (CAS 40436-85-9)
- 1-Benzyl-2-(thiophen-2-yl)pyrrolidine (CAS 1239144-62-7)
- (R)-3-((tert-Butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoic acid (CAS 500789-01-5)
- 6,7-Dichloro-4-oxo-4H-chromene-3-carbaldehyde (CAS 64481-11-4)
- N1-(2-hydrazinylethyl)ethane-1,2-diamine (CAS 873199-35-0)
- 2,6-Dimethoxy-N-(5-(3-methylpentan-3-yl)isoxazol-3-yl)benzamide (CAS 82558-73-4)
- tert-Butyl 4-(4-cyanophenoxy)piperidine-1-carboxylate (CAS 333954-86-2)
- 5-Ethoxypyrimidine-2-carbaldehyde (CAS 2411260-18-7)
- Neuropeptide W-23 (rat) (CAS 383415-89-2)
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