87051-43-2
| Name | RITANSERIN |
| CAS | 87051-43-2 |
| Molecular Formula | C27H25F2N3OS |
| MDL Number | MFCD00069341 |
| Molecular Weight | 477.57 |
| MOL File | 87051-43-2.mol |
Chemical Properties
| Melting point | 145.5° |
| Boiling point | 618.7±65.0 °C(Predicted) |
| density | 1.30±0.1 g/cm3(Predicted) |
| storage temp. | Store at +4°C |
| solubility | methanol: >10 mg/mL |
| form | solid |
| pka | 7.74±0.20(Predicted) |
| color | white |
| InChI | 1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 |
| InChIKey | JUQLTPCYUFPYKE-UHFFFAOYSA-N |
| SMILES | CC1=C(CCN2CCC(\CC2)=C(\c3ccc(F)cc3)c4ccc(F)cc4)C(=O)N5C=CSC5=N1 |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity |