700-49-2
| Name | 2-Fluoroadenine |
| CAS | 700-49-2 |
| EINECS(EC#) | 624-159-6 |
| Molecular Formula | C5H4FN5 |
| MDL Number | MFCD01632749 |
| Molecular Weight | 153.12 |
| MOL File | 700-49-2.mol |
Chemical Properties
| Appearance | white to light yellow crystal powder |
| Melting point | >350 °C(lit.) |
| Boiling point | 239.6±50.0 °C(Predicted) |
| density | 2.05±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO (Sparingly, Sonicated, Heated), Methanol (Slightly, Heated) |
| form | Solid |
| pka | 6.84±0.20(Predicted) |
| color | White to Light Yellow |
| Usage | A purine nucleoside phosphorylase gene therapy for human malignancy. |
| InChI | InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11) |
| InChIKey | WKMPTBDYDNUJLF-UHFFFAOYSA-N |
| SMILES | N1C2C(=NC(F)=NC=2N)NC=1 |
| CAS DataBase Reference | 700-49-2(CAS DataBase Reference) |
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 |
| RTECS | AU6264700 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT, IRRITANT-HARMFUL |
| HS Code | 29335990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |