3-Bromo-5-methyl-2-oxohexanoic acid CAS 90012-69-4
| CAS No. | 90012-69-4 |
| Molecular Formula | C7H11BrO3 |
| Molecular Weight | 223.06 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.
3-Bromo-5-methyl-2-oxohexanoic acid (CAS 90012-69-4) is a high-purity analytical reference standard with the molecular formula C7H11BrO3 and a molecular weight of 223.06 g/mol.
Structurally, 3-Bromo-5-methyl-2-oxohexanoic acid (C7H11BrO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 223.06 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C7H11BrO3 |
| Molecular Weight | 223.06 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Br-containing |
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