3-CYANO-4-METHYLCOUMARIN
- CAS NO.：24526-69-0
- Empirical Formula: C11H7NO2
- Molecular Weight: 185.18
- MDL number: MFCD00486386
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-07-14 15:27:00
What is 3-CYANO-4-METHYLCOUMARIN?
The Uses of 3-CYANO-4-METHYLCOUMARIN
4-Methyl-2-oxo-2H-chromene-3-carbonitrile is a useful reactant for various organic reaction and synthesis of organic compounds.
Synthesis Reference(s)
Journal of the American Chemical Society, 75, p. 1886, 1953 DOI: 10.1021/ja01104a032
General Description
3-Cyano-4-methylcoumarin is a 3-substituted 4-methylcoumarin derivative. Its structural properties, vibrational frequencies and electronic spectra has been studied by density functional theory (DFT). It has been reported to be formed during the Knoevenagel condensation of o-hydroxyacetophenone with ethyl cyanoacetate catalyzed by calcined Mg-Al hydrotalcite. Synthesis of 3-cyano-4-methylcoumarin, via condensation of o-hydroxyacetophenone with ethyl cyanoacetate in the presence of sodium ethylate, has been reported.
Properties of 3-CYANO-4-METHYLCOUMARIN
| Melting point: | 192-195 °C (dec.) (lit.) |
| Boiling point: | 352.2±21.0 °C(Predicted) |
| Density | 1.29±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| CAS DataBase Reference | 24526-69-0(CAS DataBase Reference) |
Safety information for 3-CYANO-4-METHYLCOUMARIN
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for 3-CYANO-4-METHYLCOUMARIN
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![4-[(E)-2-(DIMETHYLAMINO)ETHENYL]-2-OXO-2H-CHROMENE-3-CARBONITRILE](https://img.chemicalbook.in/StructureFile/ChemBookStructure4/GIF/CB0292913.gif)
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