4-(3-Bromo-2-trifluoromethylphenyl)-4-oxo-butyric acid CAS 1416373-70-0
| CAS No. | 1416373-70-0 |
| Molecular Formula | C11H8BrF3O3 |
| Molecular Weight | 325.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(3-Bromo-2-trifluoromethylphenyl)-4-oxo-butyric acid (CAS 1416373-70-0), molecular formula C11H8BrF3O3 and molecular weight 325.08 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(3-Bromo-2-trifluoromethylphenyl)-4-oxo-butyric acid (C11H8BrF3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 325.08 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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.
As a certified reference material (CRM), 4-(3-Bromo-2-trifluoromethylphenyl)-4-oxo-butyric acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H8BrF3O3 |
| Molecular Weight | 325.08 g/mol |
| Appearance | Off-white to pale 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 methanol, ethanol, 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/Br-containing |
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Recommended Standards
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- Methyl (2E)-3-[5-bromo-2-(trifluoromethoxy)phenyl]prop-2-enoate (CAS 1820748-61-5)
- 3-Fluoro-4-(pentafluoroethylthio)bromobenzene (CAS 1301739-36-5)
- 6-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl 4-methylbenzoate (CAS 478046-06-9)
- Z-Asn-OMe (CAS 4668-37-5)
- 2-Phenyl-1-(5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl)ethan-1-one (CAS 477870-61-4)
- 5-Bromo-2-chloro-3-iodopyridine 928653-73-0 5-Bromo-2-chloro-3-iodo-pyridine (CAS 928653-73-0)
- 1H-1,4-Bipyrazol-4-amine (CAS 1177292-57-7)
- Glyceryl trinonate (CAS 126-53-4)
- benzyl({2-methyl-1-[(2-methylprop-2-en-1-yl)oxy]propan-2-yl})amine (CAS 1955547-80-4)
- 3-Hydroxy-2-naphthaldehyde (CAS 581-71-5)
- 2-Propenoic acid, homopolymer, zinc salt (CAS 25916-47-6)
- Tirzepatide Impurity 16 (CAS CATO-C4X-324016)
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