3-(Trifluoromethylthio)benzoic acid
- Product Name3-(Trifluoromethylthio)benzoic acid
- CAS946-65-6
- MFC8H5F3O2S
- MW222.18
- EINECS
- MOL File946-65-6.mol
Chemical Properties
| Melting point | 71-74 °C (lit.) |
| Boiling point | 229.5±40.0 °C(Predicted) |
| Density | 1.50±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | tiny crystalline needles |
| pka | 3.80±0.10(Predicted) |
| color | White to off white |
| Sensitive | Stench |
| InChI | 1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | IVGAPIVNQABETQ-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccc(SC(F)(F)F)c1 |
| CAS DataBase Reference | 946-65-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Hazard Note | Irritant/Stench |
| HS Code | 2930909899 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
