Ethyl 5-Cyanobenzofuran-2-carboxylate CAS 84102-76-1
| CAS No. | 84102-76-1 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Ethyl 5-Cyanobenzofuran-2-carboxylate (CAS 84102-76-1), molecular formula C12H9NO3 and molecular weight 215.20 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 5-Cyanobenzofuran-2-carboxylate (C12H9NO3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 215.20 g/mol, it falls into the medium-molecular-weight range. 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 | C12H9NO3 |
| Molecular Weight | 215.20 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Nitrogen Atoms | 1 |
Related Ethyl Standards
- 5-Cyanobenzofuran-2-carbonyl chloride (CAS 84102-83-0)
- Methyl 5-cyanobenzofuran-2-carboxylate (CAS 84102-77-2)
- 5-Cyanobenzofuran-2-carboxylic Acid (CAS 84102-75-0)
- 6-Cyanobenzofuran-2-carboxylic acid (CAS 84102-90-9)
- (6-Cyanobenzofuran-2-yl)boronic acid (CAS 1851286-71-9)
- 2-(5-Cyanobenzofuran-2-yl)ethyl methanesulfonate (CAS 919088-05-4)
- N-(2-Cyanobenzofuran-3-yl)-2-((4-(2-methylcyclohexyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 848342-16-5)
Recommended Standards
- Ethyl 2-amino-2-(2,5-difluorophenyl)acetate (CAS 500773-81-9)
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- Ethyl 2,2-difluoro-2-(5-methylpyridin-2-yl)acetate (CAS 503627-67-6)
- Methyl (2S)-2-amino-3-(2,4-difluorophenyl)propanoate (CAS 831191-82-3)
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- Aprepitant Impurity 14 (CAS 171482-05-6)
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