Methyl 2-(3-bromo-4-cyano-5-methylphenyl)acetate CAS 1805488-61-2
| CAS No. | 1805488-61-2 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution, Methyl 2-(3-bromo-4-cyano-5-methylphenyl)acetate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 268.11 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.
Methyl 2-(3-bromo-4-cyano-5-methylphenyl)acetate (CAS 1805488-61-2), molecular formula C11H10BrNO2 and molecular weight 268.11 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C11H10BrNO2 |
| Molecular Weight | 268.11 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
- Methyl 2-(2-bromo-5-cyano-4-methylphenyl)acetate (CAS 1805488-56-5)
- Ethyl 3-bromo-2-cyano-5-methylbenzoate (CAS 1805519-75-8)
- Methyl 2-(2-bromo-3-cyano-4-methylphenyl)acetate (CAS 1805488-48-5)
- Ethyl 3-bromo-4-cyano-5-methylbenzoate (CAS 1805580-63-5)
- (S)-2-amino-N-(4-methyl-2-oxo-2H-chromen-7-yl)-3-phenylpropanamide 2,2,2-trifluoroacetate (CAS 108321-84-2)
- Ethyl 2-(2-bromo-5-cyano-4-(difluoromethyl)phenyl)acetate (CAS 1807213-32-6)
- 2,4-Diphenyl-4-methyl-1-pentene (CAS 6362-80-7)
- N1,N4-bis(4-(N,N-dimethylsulfamoyl)phenyl)-1,4-diazepane-1,4-dicarboxamide (CAS 692733-06-5)
- [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanol (CAS 926242-11-7)
- 2-(5-Fluoro-2-nitrophenoxy)-N-isopropylacetamide (CAS 850183-39-0)
- 5-(3,3,3-Trifluoropropyl)quinolin-8-ol (CAS 660852-51-7)
- Pralidoxime Chloride (CAS 51-15-0)
- N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(methoxyamino)methylene]thiourea (CAS 477873-18-0)
- Tirzepatide Impurity 9 (CAS CATO-C4X-32409)
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