54431-13-9
| Name | 7-HYDROXY-3-METHYL-4-PHENYLCOUMARIN 98 |
| CAS | 54431-13-9 |
| Molecular Formula | C16H12O3 |
| MDL Number | MFCD04039956 |
| Molecular Weight | 252.26 |
| MOL File | 54431-13-9.mol |
Chemical Properties
| Melting point | 223-228 °C(lit.) |
| Boiling point | 459.7±45.0 °C(Predicted) |
| density | 1.289±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 7.91±0.20(Predicted) |
| InChI | 1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)13-8-7-12(17)9-14(13)19-16(10)18/h2-9,17H,1H3 |
| InChIKey | JILNSPBYFPSJRO-UHFFFAOYSA-N |
| SMILES | CC1=C(c2ccccc2)c3ccc(O)cc3OC1=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |