PRODUCT Properties
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/2C7H6O2.Ca.3H2O/c2*8-7(9)6-4-2-1-3-5-6;;;;/h2*1-5H,(H,8,9);;3*1H2/q;;+2;;;/p-2 |
| InChIKey | HZQXCUSDXIKLGS-UHFFFAOYSA-L |
| SMILES | [Ca+2].[O-]C(=O)c2ccccc2.[O-]C(=O)c1ccccc1.O.O.O |
Description and Uses
Calcium Benzoate is a salt of Benzoic Acid (B203900) used in the synthesis of 1,3,4-oxadiazoles with pharmaceutical activity. Also used in the synthesis of selective human A3 adenosine receptor antagonists.
Safety
| WGK Germany | WGK 3 |
| HS Code | 2916310002 |
| Storage Class | 11 - Combustible Solids |
