2-Bromo-1-(3-(3-(trifluoromethyl)phenyl)isoxazol-5-yl)ethan-1-one CAS 400079-65-4
| CAS No. | 400079-65-4 |
| Molecular Formula | C12H7BrF3NO2 |
| Molecular Weight | 334.09 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.
CATO supplies 2-Bromo-1-(3-(3-(trifluoromethyl)phenyl)isoxazol-5-yl)ethan-1-one (CAS 400079-65-4), a certified reference material (molecular formula C12H7BrF3NO2, MW 334.09 g/mol) for analytical method development and quality control.
The molecular framework of 2-Bromo-1-(3-(3-(trifluoromethyl)phenyl)isoxazol-5-yl)ethan-1-one (C12H7BrF3NO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine 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.
CATO manufactures 2-Bromo-1-(3-(3-(trifluoromethyl)phenyl)isoxazol-5-yl)ethan-1-one 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 | C12H7BrF3NO2 |
| Molecular Weight | 334.09 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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- Custom peptides (CAS CATO-CPTD788509)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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