16309-45-8
| Name | 4-(4-NITROPHENOXY)BENZOIC ACID |
| CAS | 16309-45-8 |
| Molecular Formula | C13H9NO5 |
| MDL Number | MFCD00429494 |
| Molecular Weight | 259.21 |
| MOL File | 16309-45-8.mol |
Chemical Properties
| Melting point | 238-242 °C |
| Boiling point | 429.3±25.0 °C(Predicted) |
| density | 1.405±0.06 g/cm3(Predicted) |
| storage temp. | Store at Room Tem. |
| form | solid |
| pka | 4.17±0.10(Predicted) |
| InChI | 1S/C13H9NO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16) |
| InChIKey | XTVBFFGZCMYUJX-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 |
| CAS DataBase Reference | 16309-45-8 |
Safety Data
| Symbol(GHS) |   GHS07,GHS09 |
| Signal word | Warning |
| Hazard statements | H302-H317-H400 |
| Precautionary statements | P261-P280g-P301+P312a-P321-P333+P313-P501a-P273-P280 |
| Hazard Codes | Xn,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 2 |
| HazardClass | 9 |
| HazardClass | IRRITANT |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Skin Sens. 1 |