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| | 3-Cyano-4-methylcoumarin Basic information |
| | 3-Cyano-4-methylcoumarin Chemical Properties |
| 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 | | InChI | 1S/C11H7NO2/c1-7-8-4-2-3-5-10(8)14-11(13)9(7)6-12/h2-5H,1H3 | | InChIKey | FFBLBFMTKGSSPY-UHFFFAOYSA-N | | SMILES | CC1=C(C#N)C(=O)Oc2ccccc12 | | CAS DataBase Reference | 24526-69-0(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HS Code | 2932209090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral |
| | 3-Cyano-4-methylcoumarin Usage And Synthesis |
| Uses | 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. |
| | 3-Cyano-4-methylcoumarin Preparation Products And Raw materials |
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