4546-06-9
| Name | P-XYLYLENEBISPHOSPHONIC ACID |
| CAS | 4546-06-9 |
| Molecular Formula | C8H12O6P2 |
| MDL Number | MFCD05663703 |
| Molecular Weight | 266.12 |
| MOL File | 4546-06-9.mol |
Chemical Properties
| Melting point | 280°C(lit.) |
| Boiling point | 624.4±65.0 °C(Predicted) |
| density | 1.659±0.06 g/cm3(Predicted) |
| storage temp. | Store at room temperature |
| form | powder to crystaline |
| pka | 1.88±0.10(Predicted) |
| color | White to Light yellow |
| InChI | InChI=1S/C8H12O6P2/c9-15(10,11)5-7-1-2-8(4-3-7)6-16(12,13)14/h1-4H,5-6H2,(H2,9,10,11)(H2,12,13,14) |
| InChIKey | ZURHBENZJDSCRG-UHFFFAOYSA-N |
| SMILES | C1(CP(=O)(O)O)=CC=C(CP(=O)(O)O)C=C1 |
| CAS DataBase Reference | 4546-06-9 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P280-P305+P351+P338-P337+P313 |
| RIDADR | UN 3261 8/PG III |
| WGK Germany | WGK 3 |
| HS Code | 2931.90.6000 |
| HazardClass | 8 |
| PackingGroup | III |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |