2-[3-(trifluoromethylsulfanyl)phenyl]ethanoic acid 2-[3-(trifluoromethylthio)phenyl]acetic acid 239080-04-7 A816976 CAS 239080-04-7
| CAS No. | 239080-04-7 |
| Molecular Formula | C9H7F3O2S |
| Molecular Weight | 236.21 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.
CATO supplies 2-[3-(trifluoromethylsulfanyl)phenyl]ethanoic acid 2-[3-(trifluoromethylthio)phenyl]acetic acid 239080-04-7 A816976 (CAS 239080-04-7), a certified reference material (molecular formula C9H7F3O2S, MW 236.21 g/mol) for analytical method development and quality control.
Based on its molecular formula C9H7F3O2S, 2-[3-(trifluoromethylsulfanyl)phenyl]ethanoic acid 2-[3-(trifluoromethylthio)phenyl]acetic acid 239080-04-7 A816976 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 236.21 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.
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.
Physical & Chemical Properties
| Molecular Formula | C9H7F3O2S |
| Molecular Weight | 236.21 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 2025 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related trifluoromethylsulfanyl Standards
- 3-Trifluoromethylsulfanyl-propane-1-sulfonyl chloride (CAS 1422766-26-4)
- Benzyl-(3-trifluoromethylsulfanyl-propyl)-amine (CAS 1208079-63-3)
- 1-(3-TRIFLUOROMETHYLSULFANYL-PHENYL)-ETHANONE 1-(3-[(TRIFLUOROMETHYL)SULFANYL]PHENYL)ETHAN-1-ONE 3'-(Trifluoromethylthio)acetophenone 3-(TRIFLUOROMETHYLTHIO)ACETOPHENONE 56773-33-2 AS05211 (CAS 56773-33-2)
- (1-Methyl-2-trifluoromethylsulfanyl-ethyl)-carbamic acid tert-butyl ester (CAS 1208079-15-5)
- 6-Trifluoromethylsulfanyl-1h-pyrazine-2-thione (CAS 1206524-16-4)
- 6-Trifluoromethylsulfanyl-2h-pyridazine-3-thione (CAS 1206524-25-5)
- 5-Trifluoromethylsulfanyl-3h-pyridine-2-thione (CAS 1204234-77-4)
- 5-Trifluoromethylsulfanyl-1h-pyridine-2-thione (CAS 1204235-13-1)
Recommended Standards
- Trimethylsilyl pentafluoropropionate (CAS 24930-02-7)
- Riluzole Impurity 3 (CAS 142229-74-1)
- Methyl 4-(trifluoromethylthio)benzoate (CAS 88489-60-5)
- methyl (2S,3R)-3-(benzo[d][1,3]dioxol-5-yl)-2-methyloxirane-2-carboxylate (CAS 1000000-12-3)
- N-(2-Cyano-3-methylbutan-2-yl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)acetamide (CAS 847840-90-8)
- 2-(2-Chlorophenyl)-1-((4-methoxybenzyl)sulfonyl)propan-2-ol (CAS 339276-84-5)
- 2-imino-3,6-dimethyl-pyrazin-1-amine;2,4,6-trimethylbenzenesulfonic acid (CAS 1351515-90-6)
- 3-(4-(Bromomethyl)phenyl)-5-(pyridin-3-yl)-1,2,4-oxadiazole (CAS 866040-96-2)
- Azelastine Impurity 76 (CAS CATO-C4X-139676)
- Ethyl 5-ethyl-4-methyl-1H-pyrazole-3-carboxylate (CAS 957129-39-4)
- Bis-1,13-di(1H-imidazol-1-yl)tridecane (CAS 885334-57-6)
- 1-(3-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone (CAS 1246560-12-2)
- Methyl 3-(1-oxophthalazin-2(1H)-yl)propanoate (CAS 618441-99-9)
- Tirzepatide Impurity 36 (CAS CATO-C4X-324036)
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