95713-52-3
| Name | (S)-2-(5-fluoro-2,4-dinitrophenylaMino)propanaMide |
| CAS | 95713-52-3 |
| Molecular Formula | C9H9FN4O5 |
| MDL Number | MFCD00042049 |
| Molecular Weight | 272.19 |
| MOL File | 95713-52-3.mol |
Chemical Properties
| Melting point | 229 °C |
| Boiling point | 544.5±50.0 °C(Predicted) |
| density | 1.592±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | acetone: 10 mg/mL, clear, yellow |
| form | powder |
| pka | 15.61±0.50(Predicted) |
| color | yellow to orange |
| Optical Rotation | [α]20/D +56±2°, c = 1% in acetone |
| BRN | 6820069 |
| InChI | InChI=1S/C9H9FN4O5/c1-4(9(11)15)12-6-2-5(10)7(13(16)17)3-8(6)14(18)19/h2-4,12H,1H3,(H2,11,15)/t4-/m0/s1 |
| InChIKey | NEPLBHLFDJOJGP-BYPYZUCNSA-N |
| SMILES | C(N)(=O)[C@@H](NC1=CC(F)=C([N+]([O-])=O)C=C1[N+]([O-])=O)C |
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 |
| HS Code | 29242990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |