Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate CAS 1301214-77-6
| CAS No. | 1301214-77-6 |
| Molecular Formula | C9H7BrN2O3 |
| Molecular Weight | 271.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 271.07 g/mol gives Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate (CAS 1301214-77-6) is a high-purity analytical reference standard with the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol.
Structurally, Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate (C9H7BrN2O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 271.07 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C9H7BrN2O3 |
| Molecular Weight | 271.07 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 |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 1-((4-Bromo-1H-pyrazol-1-yl)methyl)-1H-pyrazole-4-carboxylic acid (CAS 1263213-44-0)
- 5-Bromo-N-(5-methyl-1h-1,2,4-triazol-3-yl)furan-2-carboxamide (CAS 1311960-27-6)
- 6-(Difluoromethoxy)pyridine-3-boronic Acid Pinacol Ester (CAS 1333222-12-0)
- 3-(Difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1257554-65-6)
- Methyl 6-chloroquinoline-8-carboxylate (CAS 1531504-96-7)
- Ethyl 4-bromo-6-(trifluoromethyl)picolinate (CAS 1196152-17-6)
- tert-Butyl (3-methyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)carbamate (CAS 159850-23-4)
- 2-(4-Chlorophenyl)prop-2-enoic acid (CAS 51747-43-4)
- 2-Bromo-3-ethynylphenol (CAS 2228999-66-2)
- 5-(4-(4,5-Dichloro-1H-imidazol-1-yl)phenyl)-4-nitro-1H-pyrazole (CAS 650592-12-4)
- (3-Chloro-5-methoxypyridin-2-yl)methanol (CAS 1227516-63-3)
- (3-Bromo-5,6-difluoro-2-methoxyphenyl)methanamine (CAS 1891768-27-6)
- 6-Bromo-2-(trifluoromethyl)quinazolin-4-amine (CAS 929379-35-1)
- Insulin Degludec Impurity 12 (CAS CATO-C4X-215712)
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