121235-90-3
| Name | 4-ISOTHIOCYANATOPHENYL 4-PENTYLBICYCLO |
| CAS | 121235-90-3 |
| Molecular Formula | C21H27NO2S |
| MDL Number | MFCD00213564 |
| Molecular Weight | 357.51 |
| MOL File | 121235-90-3.mol |
Chemical Properties
| Melting point | 73-113.5 °C(lit.) |
| Boiling point | 468.9±28.0 °C(Predicted) |
| density | 1.14±0.1 g/cm3(Predicted) |
| form | liquid crystal (nematic) |
| InChI | 1S/C21H27NO2S/c1-2-3-4-9-20-10-13-21(14-11-20,15-12-20)19(23)24-18-7-5-17(6-8-18)22-16-25/h5-8H,2-4,9-15H2,1H3/t20-,21- |
| InChIKey | BXZVNXOHCXCVAG-MEMLXQNLSA-N |
| SMILES | CCCCC[C@@]12CC[C@@](CC1)(CC2)C(=O)Oc3ccc(cc3)N=C=S |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| 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 |