3-{3-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile CAS 866152-38-7
| CAS No. | 866152-38-7 |
| Molecular Formula | C16H9F4NO2 |
| Molecular Weight | 323.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-{3-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile (CAS 866152-38-7) is a high-purity analytical reference standard with the molecular formula C16H9F4NO2 and a molecular weight of 323.24 g/mol.
The molecular framework of 3-{3-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile (C16H9F4NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 manufactures 3-{3-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl}-3-oxopropanenitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H9F4NO2 |
| Molecular Weight | 323.24 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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