4-(Methylthio)-2-(trifluoromethyl)benzoic acid CAS 118939-16-5
| CAS No. | 118939-16-5 |
| Molecular Formula | C9H7F3O2S |
| Molecular Weight | 236.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 236.21 g/mol gives 4-(Methylthio)-2-(trifluoromethyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-(Methylthio)-2-(trifluoromethyl)benzoic acid (CAS 118939-16-5), molecular formula C9H7F3O2S and molecular weight 236.21 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(Methylthio)-2-(trifluoromethyl)benzoic acid (C9H7F3O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 236.21 g/mol, it falls into the medium-molecular-weight range. 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 | 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.) | 1990 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Methylthio Standards
- 2-(Methylthio)-4-(trifluoromethyl)benzoic acid (CAS 142994-05-6)
- 3-(Methylthio)-5-(trifluoromethyl)benzoic acid (CAS 53985-40-3)
- 5-(2-(Methylthio)phenyl)-1,2,4-oxadiazole-3-carboxylic acid (CAS 1502039-45-3)
- 3-(Methylthio)-5-(4-nitrophenyl)-1H-1,2,4-triazole (CAS 57295-48-4)
- 2-(2-(Methylthio)-1H-benzo[d]imidazol-1-yl)propanoic acid (CAS 928712-24-7)
- 6-(Methylthio)-9-(tetrahydrofuran-2-yl)-9H-purine (CAS 51112-64-2)
- 3-Methyl-6-(methylthio)-3H-purine (CAS 1008-08-8)
- 8-(Methylthio)-6,8-dihydro-7H-thiazolo[5,4-e]indol-7-one (CAS 222036-26-2)
Recommended Standards
- ((3,3,3-Trifluoroprop-1-en-1-yl)sulfonyl)benzene (CAS 105924-64-9)
- Dimethyl 5,5-difluorocyclohexane-1,3-dicarboxylate (CAS 1296114-57-2)
- [4-(2,5-difluorophenoxy)phenyl]methanol (CAS 1048358-68-4)
- Diethyl 2,2-difluoro-4-methylenepentanedioate (CAS 1307857-46-0)
- JWH-145 (CAS 914458-19-8)
- Tert-butyl (2-amino-3,3-difluorocyclohexyl)carbamate (CAS 1109284-46-9)
- N-((2-(Dimethylamino)pyrimidin-4-yl)methyl)benzo[d][1,3]dioxole-5-carboxamide (CAS 1797621-11-4)
- Mebeverine D6 (CAS 1329747-15-0)
- 3-Methylbenzoyl isocyanate (CAS 5893-29-8)
- Boron Phosphate (CAS 13308-51-5)
- 2-(6-Methoxypyridin-3-yl)-6-(oxirane-2-carbonyl)-5-(trifluoromethyl)-2,3-dihydropyridazin-3-one (CAS 866143-78-4)
- (3-Cyclopropyl-5-(4-methyl-1H-imidazol-1-yl)phenyl)boronic acid (CAS 2225170-82-9)
- N1,N1-Dimethyl-N4-(2-pyridinylmethyl)-1,4-benzenediamine (CAS 52688-60-5)
- [γ-Glu]15 Semaglutide (CAS CATO-C4X-222690)
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