4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)phenol CAS 836-79-3
| CAS No. | 836-79-3 |
| Molecular Formula | C9H6F6O2 |
| Molecular Weight | 260.13 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.
4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)phenol (CAS 836-79-3) is a high-purity analytical reference standard with the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol.
The molecular framework of 4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propyl)phenol (C9H6F6O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C9H6F6O2 |
| Molecular Weight | 260.13 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
Related Hexafluoro Standards
- 2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenol (CAS 836-78-2)
- 3-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenol (CAS 2366994-60-5)
- 2,2,3,3,4,4-Hexafluoro-4-sulfinobutanoic acid (CAS 115432-29-6)
- (Z)-4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene (CAS 239463-97-9)
- Hexafluoro-2-(4-methylphenyl)propan-2-ol (CAS 2010-61-9)
- 1,1,1,3,3,3-Hexafluoro-2-(4-fluorophenyl)propan-2-ol (CAS 2402-74-6)
- 3,3’,4,4’,5,5’-Hexafluoro-1,1’-biphenyl (CAS 505058-38-8)
- Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate (CAS 78185-92-9)
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