5-Bromo-2-((2-chloro-4-fluorobenzyl)oxy)benzoic acid CAS 1039813-85-8
| CAS No. | 1039813-85-8 |
| Molecular Formula | C14H9BrClFO3 |
| Molecular Weight | 359.57 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.
5-Bromo-2-((2-chloro-4-fluorobenzyl)oxy)benzoic acid (CAS 1039813-85-8), molecular formula C14H9BrClFO3 and molecular weight 359.57 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-Bromo-2-((2-chloro-4-fluorobenzyl)oxy)benzoic acid (C14H9BrClFO3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C14H9BrClFO3 |
| Molecular Weight | 359.57 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, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl/Br-containing |
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