412936-84-6
| Name | 3-(3,4-DIMETHYL-BENZENESULFONYL)-PROPIONIC ACID |
| CAS | 412936-84-6 |
| Molecular Formula | C11H14O4S |
| MDL Number | MFCD00450484 |
| Molecular Weight | 242.29 |
| MOL File | 412936-84-6.mol |
Chemical Properties
| Boiling point | 480.6±45.0 °C(Predicted) |
| density | 1.265±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 3.80±0.10(Predicted) |
| InChI | 1S/C11H14O4S/c1-8-3-4-10(7-9(8)2)16(14,15)6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13) |
| InChIKey | BQBZVJSVOQMDRC-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1C)S(=O)(=O)CCC(O)=O |
Safety Data
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |