4-(Trifluoromethoxy)benzenethiol CAS 169685-29-4
| CAS No. | 169685-29-4 |
| Molecular Formula | C7H5F3OS |
| Molecular Weight | 194.17 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.
4-(Trifluoromethoxy)benzenethiol (CAS 169685-29-4) is a high-purity analytical reference standard with the molecular formula C7H5F3OS and a molecular weight of 194.17 g/mol.
Owing to sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 4-(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. 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 | 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.) | 2005 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Trifluoromethoxy Standards
- 2-(Trifluoromethoxy)benzenethiol (CAS 175278-01-0)
- 3-(Trifluoromethoxy)benzenethiol (CAS 220239-66-7)
- 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
- 5-(2-Fluoro-4-methoxyphenyl)-1H-tetrazole (CAS 1522399-03-6)
- 1-(5-(Trifluoromethyl)thiophen-3-yl)ethan-1-one (CAS 1517721-97-9)
- 5-Difluoromethoxy-2-fluorothiophenol (CAS 1803779-48-7)
- Pentafluoro Pentanethiol (CAS 148757-88-4)
- Methyl 2,5-dichloro-6-cyanonicotinate (CAS 1341232-15-2)
- 2,4-Dichlororesorcinol (CAS 16606-61-4)
- 7,8-Dimethylquinoline-3-carboxylic acid (CAS 71082-60-5)
- 3-Hydroxyundecan-2-one (CAS 41136-98-5)
- 4,6-Dimethoxy-1,3-benzothiazol-2-amine (CAS 65948-18-7)
- 4-(Piperazine-1-sulfonyl)benzene-1-sulfonamide hydrochloride (CAS 1052543-23-3)
- Nafamostat Impurity 3 (CAS CATO-C4X-13323)
- 1-Bromo-2,3-difluoro-4-(trifluoromethoxy)benzene (CAS 1417569-62-0)
- 5-Amino-4-cyclopropoxynicotinaldehyde (CAS 1243466-04-7)
- Liraglutide Impurity 31 (CAS CATO-C4X-199231)
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