trans-Dimethyl 2,5-dibromohexanedioate CAS 53490-47-4
| CAS No. | 53490-47-4 |
| Molecular Formula | C8H12Br2O4 |
| Molecular Weight | 331.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 331.99 g/mol gives trans-Dimethyl 2,5-dibromohexanedioate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
trans-Dimethyl 2,5-dibromohexanedioate (CAS 53490-47-4) is a high-purity analytical reference standard with the molecular formula C8H12Br2O4 and a molecular weight of 331.99 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, trans-Dimethyl 2,5-dibromohexanedioate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 331.99 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C8H12Br2O4 |
| Molecular Weight | 331.99 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | Br-containing |
Related trans Standards
- Dimethyl 2,5-dibromoadipate (CAS 868-72-4)
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- 1,3-Dimethyl 2-bromo-2-(4-nitrophenyl)propanedioate (CAS 860786-04-5)
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Recommended Standards
- Raltitrexed Impurity 39 (CAS CATO-C4X-138639)
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- (R)-1-(3,5-dibromophenyl)-2-methoxyethan-1-amine (CAS 1269984-07-7)
- 2-[(4-nitrophenyl)sulfanyl]acetohydrazide hydrochloride (CAS 1427380-85-5)
- Bumetanide Impurity 87 (CAS CATO-C4X-198687)
- 6-Fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CAS 885269-59-0)
- 2-Bromo-46-dimethylphenylisocyanate (CAS 78831-81-9)
- Gefitinib impurity 72 (CAS 770-22-9)
- 2,4-Dichloro-1,5-difluoro-3-(trichloromethoxy)benzene (CAS 1417566-71-2)
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