40054-68-0
| Name | Metizolam |
| CAS | 40054-68-0 |
| Molecular Formula | C16H13ClN4S |
| MDL Number | MFCD30718265 |
| Molecular Weight | 328.82 |
| MOL File | 40054-68-0.mol |
Chemical Properties
| Melting point | 153-154 °C |
| Boiling point | 527.2±60.0 °C(Predicted) |
| density | 1.46±0.1 g/cm3(Predicted) |
| storage temp. | -10 to -25°C |
| solubility | DMF: 15mg/mL; DMSO: 15mg/mL; DMSO:PBS (pH 7.2) (1:3): 0.25mg/mL |
| form | A crystalline solid |
| pka | 1.99±0.40(Predicted) |
| InChI | InChI=1S/C16H13ClN4S/c1-2-10-7-12-15(11-5-3-4-6-13(11)17)18-8-14-20-19-9-21(14)16(12)22-10/h3-7,9H,2,8H2,1H3 |
| InChIKey | NQSSWDKQLVBUQN-UHFFFAOYSA-N |
| SMILES | N12C=NN=C1CN=C(C1=CC=CC=C1Cl)C1C=C(CC)SC=12 |
Safety Data
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H302+H312+H332-H319 |
| Precautionary statements | P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338 |