4'-((1r,1'r,4R,4'R)-4'-Ethyl-[1,1'-bi(cyclohexan)]-4-yl)-3,4,5-trifluoro-1,1'-biphenyl CAS 137529-40-9
| CAS No. | 137529-40-9 |
| Molecular Formula | C26H31F3 |
| Molecular Weight | 400.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4'-((1r,1'r,4R,4'R)-4'-Ethyl-[1,1'-bi(cyclohexan)]-4-yl)-3,4,5-trifluoro-1,1'-biphenyl is closely related to fluorine substitution, a polycyclic aromatic system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4'-((1r,1'r,4R,4'R)-4'-Ethyl-[1,1'-bi(cyclohexan)]-4-yl)-3,4,5-trifluoro-1,1'-biphenyl (CAS 137529-40-9) is a high-purity analytical reference standard with the molecular formula C26H31F3 and a molecular weight of 400.52 g/mol.
The molecular framework of 4'-((1r,1'r,4R,4'R)-4'-Ethyl-[1,1'-bi(cyclohexan)]-4-yl)-3,4,5-trifluoro-1,1'-biphenyl (C26H31F3) is characterized by fluorine substitution, a polycyclic aromatic system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C26H31F3 |
| Molecular Weight | 400.52 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | F-containing |
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