3-(METHYLSULFONYL)BENZOIC ACID
- Product Name3-(METHYLSULFONYL)BENZOIC ACID
- CAS5345-27-7
- MFC8H8O4S
- MW200.21
- EINECS
- MOL File5345-27-7.mol
Chemical Properties
| Melting point | 230-238 °C |
| Boiling point | 230-238°C |
| Density | 1.4787 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | pK1:3.52 (25°C) |
| form | Powder |
| color | White to very slightly yellow |
| Sensitive | Moisture Sensitive |
| InChI | InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | KUTBMATZUQWFSR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(S(C)(=O)=O)=C1 |
| CAS DataBase Reference | 5345-27-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 41 |
| Safety Statements | 24/25-39-26 |
| Hazard Note | Irritant |
| HS Code | 29163990 |
