3-Hydroxycoumarin
- Product Name3-Hydroxycoumarin
- CAS939-19-5
- MFC9H6O3
- MW162.14
- EINECS213-355-3
- MOL File939-19-5.mol
Chemical Properties
| Melting point | 153-157 °C (lit.) |
| Boiling point | 369.9±42.0 °C(Predicted) |
| Density | 1.446±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMF: 15 mg/ml,DMF:PBS (pH 7.2) (1:4): 0.20 mg/ml,DMSO: 10 mg/ml,Ethanol: 1 mg/ml |
| form | powder to crystal |
| pka | 8.24±0.20(Predicted) |
| color | White to Orange to Green |
| λmax | 307nm(MeOH)(lit.) |
| InChI | 1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H |
| InChIKey | MJKVTPMWOKAVMS-UHFFFAOYSA-N |
| SMILES | OC1=Cc2ccccc2OC1=O |
| LogP | 1.600 (est) |
| CAS DataBase Reference | 939-19-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 22-24/25-36-26 |
| WGK Germany | 3 |
| RTECS | GN6797000 |
| Hazard Note | Irritant |
| HS Code | 2932990090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
