4-(TRIFLUOROMETHYLTHIO)BENZOIC ACID
- Product Name4-(TRIFLUOROMETHYLTHIO)BENZOIC ACID
- CAS330-17-6
- MFC8H5F3O2S
- MW222.18
- EINECS625-833-2
- MOL File330-17-6.mol
Chemical Properties
| Melting point | 159.5-162.5 °C(lit.) |
| Boiling point | 227.6±40.0 °C(Predicted) |
| Density | 1.50±0.1 g/cm3(Predicted) |
| storage temp. | Storage temp. 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 3.76±0.10(Predicted) |
| color | White to Almost white |
| Sensitive | Stench |
| BRN | 2693449 |
| InChI | 1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | UMOGQQWVQUQTQA-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(SC(F)(F)F)cc1 |
| CAS DataBase Reference | 330-17-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Hazard Note | Irritant/Stench |
| HazardClass | IRRITANT |
| HS Code | 29309090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
