Methyl 3-bromo-5-methylisoxazole-4-carboxylate CAS 188686-98-8
| CAS No. | 188686-98-8 |
| Molecular Formula | C6H6BrNO3 |
| Molecular Weight | 220.02 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 Methyl 3-bromo-5-methylisoxazole-4-carboxylate (CAS 188686-98-8), a certified reference material (molecular formula C6H6BrNO3, MW 220.02 g/mol) for analytical method development and quality control.
Structurally, Methyl 3-bromo-5-methylisoxazole-4-carboxylate (C6H6BrNO3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 220.02 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.
As a certified reference material (CRM), Methyl 3-bromo-5-methylisoxazole-4-carboxylate 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 | C6H6BrNO3 |
| Molecular Weight | 220.02 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2010 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 2-Bromo-1-(3-methoxyisoxazol-5-yl)ethanone (CAS 104164-49-0)
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- 5-Bromo-N-methoxyfuran-3-carboxamide (CAS 1090046-35-7)
- Methyl 4-bromo-3-methylisoxazole-5-carboxylate (CAS 1092301-44-4)
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- ethyl 3-bromo-1,2-oxazole-4-carboxylate (CAS 111303-36-7)
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Recommended Standards
- 3-(5-Bromo-1H-1,2,4-triazol-1-yl)propanoic acid (CAS 1855889-75-6)
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- Methyl 2-bromo-5-methyloxazole-4-carboxylate (CAS 1824354-74-6)
- Ethyl 5-bromoisoxazole-3-carboxylate (CAS 1914946-33-0)
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- 1-[1-(2-bromo-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (CAS 312508-61-5)
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