147702-14-5
| Name | (S)-VANOL |
| CAS | 147702-14-5 |
| Molecular Formula | C32H22O2 |
| MDL Number | MFCD08459338 |
| Molecular Weight | 438.52 |
| MOL File | 147702-14-5.mol |
Chemical Properties
| Melting point | 199-203 °C |
| alpha | -372.3° (c 1.0, THF) |
| Boiling point | 580.1±50.0 °C(Predicted) |
| density | 1.251±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | Powder |
| pka | 7.71±0.50(Predicted) |
| color | white to pale yellow |
| Optical Rotation | [α]20/D -314°, c = 1 in chloroform |
| InChI | 1S/C32H22O2/c33-31-25-17-9-7-15-23(25)19-27(21-11-3-1-4-12-21)29(31)30-28(22-13-5-2-6-14-22)20-24-16-8-10-18-26(24)32(30)34/h1-20,33-34H |
| InChIKey | NDTDVKKGYBULHF-UHFFFAOYSA-N |
| SMILES | Oc1c(c(cc2ccccc12)-c3ccccc3)-c4c(O)c5ccccc5cc4-c6ccccc6 |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H315-H318-H335-H413 |
| Precautionary statements | P273-P280-P302+P352-P305+P351+P338+P310 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Chronic 4 Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
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