866323-14-0
| Name | PXD-101 |
| CAS | 866323-14-0 |
| Molecular Formula | C15H14N2O4S |
| Molecular Weight | 318.348 |
| MOL File | 866323-14-0.mol |
Chemical Properties
| Melting point | 172 °C(Solv: ethyl acetate (141-78-6)) |
| density | 1.427±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO:64.0(Max Conc. mg/mL);201.4(Max Conc. mM) |
| form | powder to crystal |
| pka | 8.27±0.10(Predicted) |
| color | White to Light yellow to Light orange |
| InChI | InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ |
| InChIKey | NCNRHFGMJRPRSK-MDZDMXLPSA-N |
| SMILES | C(NO)(=O)/C=C/C1=CC=CC(S(NC2=CC=CC=C2)(=O)=O)=C1 |
Safety Data
| Symbol(GHS) |  GHS08 |
| Signal word | Danger |
| Hazard statements | H340-H361f-H373 |
| Precautionary statements | P201-P202-P260-P280-P308+P313-P405 |
| WGK Germany | WGK 3 |
| HS Code | 2935.90.6000 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Muta. 1B Repr. 2 STOT RE 2 |