3-Fluoro-4-(sulfanylmethyl)benzoic acid CAS 112682-72-1
| CAS No. | 112682-72-1 |
| Molecular Formula | C8H7FO2S |
| Molecular Weight | 186.20 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 3-Fluoro-4-(sulfanylmethyl)benzoic acid (CAS 112682-72-1), a certified reference material (molecular formula C8H7FO2S, MW 186.20 g/mol) for analytical method development and quality control.
3-Fluoro-4-(sulfanylmethyl)benzoic acid (C8H7FO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C8H7FO2S |
| Molecular Weight | 186.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1989 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Fluoro Standards
- Methyl 5-fluoro-2-mercaptobenzoate (CAS 104456-81-7)
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- 2-(2-Fluoro-4-mercaptophenyl)acetic acid (CAS 1426805-48-2)
- 3-fluoro-2-(methylsulfanyl)benzoic acid (CAS 147460-53-5)
- 2-Fluoro-6-(methylsulfanyl)benzoic acid (CAS 1516052-88-2)
- 4-Fluoro-3-(methylsulfanyl)benzoic acid (CAS 169310-01-4)
- 2-Fluoro-3-(methylthio)benzoic acid (CAS 252555-54-7)
- 2-Fluoro-4-(methylthio)benzoic acid (CAS 57319-21-8)
Recommended Standards
- 1-(1,1-Difluoroethyl)-3-ethoxybenzene (CAS 1138445-11-0)
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- myo-Inositol-d6 (CAS 68922-44-1)
- 2-(3,5-Dimethyl-1h-pyrazol-1-yl)pyridine-4-carboximidamide hydrochloride (CAS 1221724-18-0)
- 4-(tert-Butyl)-1-phenylcyclohexanol (CAS 19437-01-5)
- 5-(4-Ethoxybenzoyl)-2-methylpyridine (CAS 1187171-10-3)
- 4-azaspiro[2.5]octan-7-one;hydrochloride (CAS 2306277-85-8)
- 6-[3-(dimethylamino)prop-2-enoyl]-7-hydroxy-4,8-dimethyl-2H-chromen-2-one (CAS 1821457-33-3)
- 2-amino-2-methyl-4-(propan-2-yloxy)butanenitrile (CAS 1247180-91-1)
- Boceprevir-d9 (CAS 1256751-11-7)
- N-(3,4-dimethylphenyl)-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydropyridine-3-carboxamide (CAS 400088-58-6)
- Chloromethyl (2-methoxyethyl) carbonate (CAS 432037-32-6)
- SAMS Peptide (CAS 125911-68-4)
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