53011-72-6
| Name | Murralongin |
| CAS | 53011-72-6 |
| Molecular Formula | C15H14O4 |
| MDL Number | MFCD20260529 |
| Molecular Weight | 258.27 |
| MOL File | 53011-72-6.mol |
Chemical Properties
| Melting point | 132-134 °C(Solv: ethyl ether (60-29-7)) |
| Boiling point | 463.6±45.0 °C(Predicted) |
| density | 1.198±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| form | Powder |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3 |
| InChIKey | PBAZKMWQUBDDLZ-UHFFFAOYSA-N |
| SMILES | COc1ccc2C=CC(=O)Oc2c1\C(C=O)=C(\C)C |
Safety Data
| Hazard Codes | T,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 |