Allopurinol impurity C
- Product NameAllopurinol impurity C
- CAS1346604-13-4
- CBNumberCB3587524
- MFC6H6N6O
- MW178.15
- MDL NumberMFCD21363439
- MOL FileMol file
- MSDS FileSDS
Chemical Properties
| Boiling point | 579.3±60.0 °C(Predicted) |
| Density | 1.85±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Aqueous Base (Slightly, Heated), DMSO (Slightly) |
| form | solid |
| pka | 9.36±0.50(Predicted) |
| Major Application | pharmaceutical |
| InChI | InChI=1S/C6H6N6O/c7-5(13)4-1-8-11-6(4)12-2-9-10-3-12/h1-3H,(H2,7,13)(H,8,11) |
| InChIKey | OFCNXPDARWKPPY-UHFFFAOYSA-N |
| SMILES | N1C=C(C(N)=O)C(N2C=NN=C2)=N1 |
| FDA UNII | 08NO0BP96Y |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | WGK 3 |
| HS Code | 2933199050 |
| Storage Class | 11 - Combustible Solids |