3-(Trifluoromethoxy)benzenethiol CAS 220239-66-7
| CAS No. | 220239-66-7 |
| Molecular Formula | C7H5F3OS |
| Molecular Weight | 194.17 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.
3-(Trifluoromethoxy)benzenethiol (CAS 220239-66-7), molecular formula C7H5F3OS and molecular weight 194.17 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 3-(Trifluoromethoxy)benzenethiol is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 194.17 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).
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 | C7H5F3OS |
| Molecular Weight | 194.17 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 |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Trifluoromethoxy Standards
- 4-(Trifluoromethoxy)benzenethiol (CAS 169685-29-4)
- 2-(Trifluoromethoxy)benzenethiol (CAS 175278-01-0)
- 1-(Trifluoromethoxy)-4-vinylcyclohexane (CAS 2231673-32-6)
- 4-(Trifluoromethoxy)benzene-1,3-diol (CAS 1395038-04-6)
- 4-(Trifluoromethoxy)benzene-1,2-diol (CAS 187927-51-1)
- 1-(2-(Trifluoromethoxy)ethyl)-1h-pyrazol-4-amine (CAS 1477801-08-3)
- 3-(Trifluoromethoxy)pyridine-2(1H)-thione (CAS 1408280-15-8)
- 6-(Trifluoromethoxy)pyridine-3,4-diamine (CAS 1361850-78-3)
Recommended Standards
- 2-Amino-5-(dimethylphosphoryl)benzonitrile (CAS 2903924-80-9)
- 3-[(Trifluoromethyl)thio]phenol (CAS 3823-40-3)
- 2-((Trifluoromethyl)thio)phenol (CAS 33185-56-7)
- 3-Fluoroimidazo[1,2-a]pyridine-2-carbohydrazide (CAS 893774-41-9)
- (E)-2-(2-Methoxyphenyl)-3-phenyl-2-propenoic acid (E)-2-(2-methoxyphenyl)-3-phenylacrylic acid 1657-65-4 (CAS 1657-65-4)
- 2-Bromo-2-methyl-1-morpholinopropan-1-one (CAS 13887-51-9)
- 1-(4-fluorophenyl)pyrazole (CAS 81329-32-0)
- 2-Amino-7-methyl-5-oxo-4-phenyl-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile (CAS 194282-72-9)
- 2-Bromo-3-(bromomethyl)-1-benzothiophene (CAS 183861-05-4)
- 3-(3-Bromophenyl)propanamide (CAS 615534-55-9)
- 2-((2-Hexyldecyl)oxy)benzamide (CAS 202483-62-3)
- tert-Butyl (3-iodo-2-methylphenyl)carbamate (CAS 1072801-05-8)
- 1,1-Difluoro-3-(1H-imidazol-5-yl)propan-2-amine (CAS 70734-40-6)
- Semaglutide impurity 199 (CAS CATO-C4X-2226199)
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