117620-77-6
| Name | 3-CYANO-7-ETHOXYCOUMARIN |
| CAS | 117620-77-6 |
| EINECS(EC#) | 200-562-0 |
| Molecular Formula | C12H9NO3 |
| MDL Number | MFCD00467359 |
| Molecular Weight | 215.2 |
| MOL File | 117620-77-6.mol |
Chemical Properties
| Melting point | 210-212°C |
| Boiling point | 396.8±42.0 °C(Predicted) |
| density | 1.29±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: soluble |
| form | Solid |
| color | yellow to orange |
| λmax | 356 nm (Buffer pH7); 355 nm(MeOH) |
| Biological Applications | As a substrate for measuring cytochrome P450 enzymes activity; cytochrome P450 inhibition assays; drug design; drug metabolism; treating viral or parasite infections. |
| InChI | InChI=1S/C12H9NO3/c1-2-15-10-4-3-8-5-9(7-13)12(14)16-11(8)6-10/h3-6H,2H2,1H3 |
| InChIKey | YAFGHMIAFYQSCF-UHFFFAOYSA-N |
| SMILES | C1(=O)OC2=CC(OCC)=CC=C2C=C1C#N |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |