950603-35-7
| Name | 1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylic acid |
| CAS | 950603-35-7 |
| Molecular Formula | C9H10F3N3O2S |
| MDL Number | MFCD11101440 |
| Molecular Weight | 281.25 |
| MOL File | 950603-35-7.mol |
Chemical Properties
| Boiling point | 373.6±52.0 °C(Predicted) |
| density | 1.533±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 4.34±0.20(Predicted) |
| InChI | 1S/C9H10F3N3O2S/c10-9(11,12)7-13-14-8(18-7)15-3-1-5(2-4-15)6(16)17/h5H,1-4H2,(H,16,17) |
| InChIKey | PWQMNLMMMCREOV-UHFFFAOYSA-N |
| SMILES | OC(=O)C1CCN(CC1)c2nnc(s2)C(F)(F)F |
Safety Data
| Hazard Codes | Xi,T |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | WGK 3 |
| HS Code | 2933399990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |