Ethyl 2-(3-bromo-2-cyano-4-methylphenyl)acetate CAS 1807209-89-7
| CAS No. | 1807209-89-7 |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2-(3-bromo-2-cyano-4-methylphenyl)acetate (C12H12BrNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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).
Ethyl 2-(3-bromo-2-cyano-4-methylphenyl)acetate (CAS 1807209-89-7) is a high-purity analytical reference standard with the molecular formula C12H12BrNO2 and a molecular weight of 282.13 g/mol.
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 | C12H12BrNO2 |
| Molecular Weight | 282.13 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.) | 1995 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- Ethyl 2-(2-bromo-4-cyano-5-methylphenyl)acetate (CAS 1807209-80-8)
- Ethyl 3-(2-bromophenyl)-3-cyanopropanoate (CAS 1864058-19-4)
- Ethyl 2-(3-bromo-5-cyano-4-methylphenyl)acetate (CAS 1807044-52-5)
- 5-(3-Bromo-4-isopropoxyphenyl)oxazole (CAS 191602-85-4)
- N-{2-[(6-Chloro-3-pyridinyl)amino]ethyl}-N-cyanoethanimidamide (CAS 866042-44-6)
- (3-Methyl-1H-indazol-7-yl)methanamine (CAS 1552214-93-3)
- 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide (CAS 477333-48-5)
- Chloride ionophore III (CAS 178959-28-9)
- 2-azido-1,3-thiazole (CAS 58822-97-2)
- 3-(Bromomethyl)-2,5-difluoropyridine (CAS 1227574-11-9)
- 4-Chloro-2-fluorobenzoic Acid (CAS 446-30-0)
- Piperidine-1-carboximidamide hydrobromide (CAS 332367-56-3)
- 2-Ethoxy-4-formylphenyl 2-chloroacetate (CAS 247225-91-8)
- Liraglutide-d8 Tetratrifluoroacetate (CAS 204656-20-2 (non-labelled, free base))
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