Isoxazole, 3-bromo-5-methyl- (6CI,7CI,8CI,9CI) CAS 25741-97-3
| CAS No. | 25741-97-3 |
| Molecular Formula | C4H4BrNO |
| Molecular Weight | 161.98 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 161.98 g/mol gives Isoxazole, 3-bromo-5-methyl- (6CI,7CI,8CI,9CI) distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Isoxazole, 3-bromo-5-methyl- (6CI,7CI,8CI,9CI) (CAS 25741-97-3) is a high-purity analytical reference standard with the molecular formula C4H4BrNO and a molecular weight of 161.98 g/mol.
Based on its molecular formula C4H4BrNO, Isoxazole, 3-bromo-5-methyl- (6CI,7CI,8CI,9CI) contains an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 161.98 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C4H4BrNO |
| Molecular Weight | 161.98 g/mol |
| Appearance | 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 tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1964 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Isoxazole Standards
- Isoxazole-3,4-dicarboxylic acid (CAS 15440-76-3)
- Isoxazole-3,5-dicarboxylicacid (CAS 89379-30-6)
- 5-Propyl-isoxazole-3-carboxylicacid 5-propylisoxazole-3-carboxylic acid 89776-75-0 A10741 (CAS 89776-75-0)
- Isoxazole-3,5-dicarboxamide (CAS 873962-83-5)
- 1,1'-(Isoxazole-3,5-diyl)diethanone (CAS 68659-04-1)
- Ethyl isoxazole-5-carboxylate (CAS 173850-41-4)
- Ethyl isoxazole-4-carboxylate (CAS 80370-40-7)
- 3-methyl-isoxazole-5-boronic acid (CAS 1190875-27-4)
Recommended Standards
- 5-BROMOMETHYL-ISOXAZOLE (CAS 69735-35-9)
- (3-Cyclopropylphenyl)boronic acid (CAS 1049730-10-0)
- 2-Bromo-5-methyl-oxazole (CAS 129053-67-4)
- 3-Bromo-1H-pyrazol-5-amine (CAS 1203705-55-8)
- 4-[(2,6-dimethylphenyl)carbamoyl]butanoic acid (CAS 201137-73-7)
- (Diethoxymethoxy)ethene (CAS 34712-46-4)
- 7,7'-Dimethyl[1,1'-binaphthalene]-2,2'-diamine (CAS 756822-97-6)
- 1-Methyl-1H-imidazo[4,5-b]pyridine-2-carbaldehyde hydrochloride (CAS 958254-66-5)
- 1-Methylisoquinolin-4-amine (CAS 104704-41-8)
- 3-Amino-1-methyl-5-(propylthio)-1H-pyrazole-4-carbonitrile (CAS 512845-55-5)
- Methyl 3-amino-3-(3-fluoro-5-methoxyphenyl)propanoate (CAS 1427453-94-8)
- 4-(4-Benzyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H-pyrazol-5-amine (CAS 329901-22-6)
- Isobutyl Butyrate (CAS 539-90-2)
- Semaglutide Impurity 115 (CAS CATO-C4X-2226115)
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