3-Cyano-7-ethoxycoumarin
- Product Name3-Cyano-7-ethoxycoumarin
- CAS117620-77-6
- CBNumberCB2732282
- MFC12H9NO3
- MW215.2
- EINECS200-562-0
- MDL NumberMFCD00467359
- MOL File117620-77-6.mol
- MSDS FileSDS
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 |
| FDA UNII | 997LV3DUS7 |
| UNSPSC Code | 12161501 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302+H312+H332-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 20/21/22-36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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