Ethyl 1-bromoisoquinoline-3-carboxylate CAS 1079947-40-2
| CAS No. | 1079947-40-2 |
| Molecular Formula | C12H10BrNO2 |
| Molecular Weight | 280.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Ethyl 1-bromoisoquinoline-3-carboxylate (CAS 1079947-40-2), molecular formula C12H10BrNO2 and molecular weight 280.12 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 1-bromoisoquinoline-3-carboxylate (C12H10BrNO2) 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 high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C12H10BrNO2 |
| Molecular Weight | 280.12 g/mol |
| Appearance | Pale yellow to 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Ethyl Standards
- Ethyl 6-Bromoisoquinoline-1-carboxylate (CAS 1020576-70-8)
- Methyl 5-Bromoisoquinoline-1-acetate (CAS 1612222-98-6)
- Ethyl 7-Bromoisoquinoline-1-carboxylate (CAS 1823278-31-4)
- Ethyl 8-bromoisoquinoline-3-carboxylate (CAS 1823315-22-5)
- Ethyl 4-bromoisoquinoline-1-carboxylate (CAS 1823403-20-8)
- Ethyl 5-bromoisoquinoline-3-carboxylate (CAS 1823577-57-6)
- Ethyl 6-Bromoisoquinoline-3-carboxylate (CAS 882679-56-3)
- Ethyl 7-Bromoisoquinoline-3-carboxylate (CAS 660830-62-6)
Recommended Standards
- Ethyl 2-bromoquinoline-4-carboxylate (CAS 104997-49-1)
- 4-((5-Bromopyrimidin-2-yl)oxy)-3-methylaniline (CAS 111986-57-3)
- 5-(2-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 1049131-96-5)
- 1-[1-(3-bromophenyl)-5-methyl-1h-1,2,3-triazol-4-yl]ethan-1-one (CAS 1157061-37-4)
- 2-(Methylsulfamoyl)acetic acid (CAS 1042583-72-1)
- Ethyl 2-oxobicyclo[4.1.0]heptane-7-carboxylate (CAS 13949-98-9)
- Ethyl 1-(5-((1H-imidazol-1-yl)methyl)thiazol-2-yl)piperidine-4-carboxylate (CAS 866137-09-9)
- 1-(Amino(3-bromophenyl)methyl)cyclopentan-1-ol (CAS 1402153-26-7)
- 1-(2-Bromo-6-chlorophenyl)ethan-1-ol (CAS 1175300-45-4)
- (3S,4aS,8aS)-N-(tert-Butyl)-2-((2R,3R)-2-hydroxy-4-(phenylthio)-3-pivalamidobutyl)decahydroisoquinoline-3-carboxamide, >98% (CAS 1217629-57-6)
- (S)-2-(Boc-amino)-3-methylbutanal (CAS 79069-51-5)
- 7-Deaza-2′-deoxyguanosine 5′-lithium triphosphate (CAS 101515-08-6)
- Methyl 3-Amino-3-(3-pyridyl)propionate (CAS 129042-89-3)
- Osteogenic Growth Peptide (CAS 132996-61-3)
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