methyl 2-(bromomethyl)-5-cyanobenzoate CAS 421551-82-8
| CAS No. | 421551-82-8 |
| Molecular Formula | C10H14BrNO2 |
| Molecular Weight | 260.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of methyl 2-(bromomethyl)-5-cyanobenzoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
methyl 2-(bromomethyl)-5-cyanobenzoate (CAS 421551-82-8) is a high-purity analytical reference standard with the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol.
Structurally, methyl 2-(bromomethyl)-5-cyanobenzoate (C10H14BrNO2) 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 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 260.13 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C10H14BrNO2 |
| Molecular Weight | 260.13 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 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related methyl Standards
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- 3-(Bromomethyl)-2-methyl-1-naphthonitrile (CAS 80665-00-5)
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- 4-(Bromomethyl)-1-(2,2,2-trifluoroethyl)piperidine (CAS 1540363-86-7)
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Recommended Standards
- Ethyl 4-bromo-1,3,5-trimethyl-1H-pyrrole-2-carboxylate (CAS 86614-23-5)
- N-(2-Bromobenzylidene)aniline (CAS 41077-23-0)
- 5-Bromo-N-(tert-pentyl)furan-2-carboxamide (CAS 664992-72-7)
- N-(4-Bromo-1-methyl-5-pyrazolyl)pivalamide (CAS 679394-11-7)
- 4-Chloro-1-(difluoromethoxy)-2-ethynylbenzene (CAS 2228802-29-5)
- Ethyl 3-Bromo-4-hydroxybenzoate (CAS 37470-58-9)
- Ethyl 1-(2-(pyrrolidin-1-yl)ethyl)-1H-imidazole-4-carboxylate (CAS 468095-97-8)
- 3-(4-Chloro-2,5-dimethylbenzenesulfonyl)-4,6-dimethyl-2-(2-methylpropoxy)pyridine (CAS 400078-20-8)
- (3,5-Diethyl-1-methyl-1h-pyrazol-4-yl)methanamine (CAS 1423033-71-9)
- Methyl 3-oxo-3-(thiophen-2-yl)propanoate (CAS 134568-16-4)
- Emodepside (CAS 155030-63-0)
- 2,6-Diphenylpyridin-3-amine (CAS 56568-39-9)
- Ethyl 6-(4-methoxyphenyl)-2-methylnicotinate (CAS 2004-63-9)
- Tirzepatide Impurity 61 (CAS CATO-C4X-324061)
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