3-Benzoylbenzoic acid
- Product Name3-Benzoylbenzoic acid
- CAS579-18-0
- MFC14H10O3
- MW226.23
- EINECS621-014-9
- MOL File579-18-0.mol
Chemical Properties
| Melting point | 164-166 °C (lit.) |
| Boiling point | 327.84°C (rough estimate) |
| Density | 1.2022 (rough estimate) |
| refractive index | 1.5767 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| form | Powder |
| pka | 3.86±0.10(Predicted) |
| color | White to light beige |
| Water Solubility | Insoluble in water. |
| BRN | 2212366 |
| InChI | InChI=1S/C14H10O3/c15-13(10-5-2-1-3-6-10)11-7-4-8-12(9-11)14(16)17/h1-9H,(H,16,17) |
| InChIKey | AXJXRLHTQQONQR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1 |
| CAS DataBase Reference | 579-18-0(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| HS Code | 29183000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
