482-27-9
| Name | ISOPIMPINELLIN |
| CAS | 482-27-9 |
| Molecular Formula | C13H10O5 |
| MDL Number | MFCD00017407 |
| Molecular Weight | 246.22 |
| MOL File | 482-27-9.mol |
Chemical Properties
| Melting point | 150-151°C |
| Boiling point | 448.7±45.0 °C(Predicted) |
| density | 1.352±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Soluble in acetone and chloroform; |
| form | powder to crystal |
| color | Light yellow to Yellow to Green |
| Water Solubility | practically insoluble in water |
| Usage | Antiviral, anti HIV |
| λmax | 268nm(MeOH)(lit.) |
| BRN | 262337 |
| InChI | InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
| Contact allergens | |
| InChIKey | DFMAXQKDIGCMTL-UHFFFAOYSA-N |
| SMILES | C1(=O)OC2=C(OC)C3OC=CC=3C(OC)=C2C=C1 |
| LogP | 1.407 (est) |
| CAS DataBase Reference | 482-27-9(CAS DataBase Reference) |
Safety Data
| Hazard Codes | T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGII |
| WGK Germany | 3 |
| RTECS | LV1049200 |
| HS Code | 2932202000 |
| Storage Class | 6.1B - Non-combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral |
| Hazardous Substances Data | 482-27-9(Hazardous Substances Data) |
