112398-08-0
| Name | DANOFLOXACIN |
| CAS | 112398-08-0 |
| Molecular Formula | C19H20FN3O3 |
| MDL Number | MFCD00864910 |
| Molecular Weight | 357.38 |
| MOL File | 112398-08-0.mol |
Chemical Properties
| Melting point | 268-272 C |
| Boiling point | 569.3±50.0 °C(Predicted) |
| density | 1.485±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Aqueous Base (Slightly), Chloroform (Very Slightly, Heated), Water (Slightly) |
| form | neat |
| pka | 6.43±0.41(Predicted) |
| color | Off-White to Pale Yellow |
| Water Solubility | Soluble in water, acetic acid and DMSO |
| Major Application | forensics and toxicology pharmaceutical (small molecule) veterinary |
| InChI | 1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1 |
| InChIKey | QMLVECGLEOSESV-RYUDHWBXSA-N |
| SMILES | CN1C[C@@H]2C[C@H]1CN2c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5 |
Safety Data
| Symbol(GHS) |   GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H319-H372-H412 |
| Precautionary statements | P264-P280-P260-P273-P305+P351+P338-P337+P313-P314-P501 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Chronic 3 STOT RE 2 |