2341-22-2
| Name | 5-Fluorocytidine |
| CAS | 2341-22-2 |
| EINECS(EC#) | 234-122-2 |
| Molecular Formula | C9H12FN3O5 |
| MDL Number | MFCD00210953 |
| Molecular Weight | 261.21 |
| MOL File | 2341-22-2.mol |
Chemical Properties
| Appearance | White Powder |
| Melting point | 196-200 °C (lit.) |
| alpha | 55 º (c=1, MeOH) |
| Boiling point | 511.4±60.0 °C(Predicted) |
| density | 1.98±0.1 g/cm3(Predicted) |
| refractive index | 55 ° (C=1, MeOH) |
| storage temp. | Keep in dark place,Inert atmosphere,2-8°C |
| solubility | Methanol (Slightly, Heated), Water (Slightly) |
| form | Solid |
| pka | 13.48±0.70(Predicted) |
| color | White to Off-White |
| Optical Rotation | [α]20/D +55°, c = 1% in methanol |
| InChI | InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 |
| InChIKey | STRZQWQNZQMHQR-UAKXSSHOSA-N |
| SMILES | OC[C@H]1O[C@@H](N2C=C(F)C(N)=NC2=O)[C@H](O)[C@@H]1O |
| CAS DataBase Reference | 2341-22-2(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P302+P352-P305+P351+P338 |
| Hazard Codes | Xi,C |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | HA3890000 |
| Hazard Note | Irritant |
| HS Code | 29349990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |