2-(4-Chlorobenzoyl)benzoic acid
- Product Name2-(4-Chlorobenzoyl)benzoic acid
- CAS85-56-3
- MFC14H9ClO3
- MW260.67
- EINECS201-615-9
- MOL File85-56-3.mol
Chemical Properties
| Melting point | 149-150 °C (lit.) |
| Boiling point | 470.8±30.0 °C(Predicted) |
| Density | 1.357±0.06 g/cm3(Predicted) |
| vapor pressure | 0Pa at 20℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.28g/l |
| pka | 3.26±0.36(Predicted) |
| form | Solid |
| color | White to Off-White |
| PH | 3 (1g/l, H2O, 20℃) |
| Water Solubility | 136mg/L at 20℃ |
| BRN | 649894 |
| InChI | 1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18) |
| InChIKey | YWECCEXWKFHHQJ-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2 |
| LogP | 1 at 25℃ |
| CAS DataBase Reference | 85-56-3(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 2-(4-chlorobenzoyl)- (85-56-3) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29183000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
