Methyl 2-bromo-6,7-dihydro-5H-benzo[7]annulene-8-carboxylate CAS 229007-63-0
| CAS No. | 229007-63-0 |
| Molecular Formula | C13H13BrO2 |
| Molecular Weight | 281.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 281.15 g/mol gives Methyl 2-bromo-6,7-dihydro-5H-benzo[7]annulene-8-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 2-bromo-6,7-dihydro-5H-benzo[7]annulene-8-carboxylate (CAS 229007-63-0) is a high-purity analytical reference standard with the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol.
The molecular framework of Methyl 2-bromo-6,7-dihydro-5H-benzo[7]annulene-8-carboxylate (C13H13BrO2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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), Methyl 2-bromo-6,7-dihydro-5H-benzo[7]annulene-8-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 | C13H13BrO2 |
| Molecular Weight | 281.15 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 2022 |
| Halogen Content | Br-containing |
Related Methyl Standards
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- tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate (CAS 219834-81-8)
- 2-((3-Methyl-1H-pyrazolo[3,4-b]quinolin-4-yl)amino)butan-1-ol (CAS 105774-22-9)
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