130783-02-7
| Name | 3,5-Bis(trifluoromethyl)benzenethiol |
| CAS | 130783-02-7 |
| Molecular Formula | C8H4F6S |
| MDL Number | MFCD00042273 |
| Molecular Weight | 246.17 |
| MOL File | 130783-02-7.mol |
Chemical Properties
| Appearance | clear colorless to slightly yellow liquid |
| Melting point | 71 °C |
| Boiling point | 167 °C (lit.) |
| density | 1.46 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 150 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | powder to lump to clear liquid |
| pka | 4.90±0.11(Predicted) |
| color | White or Colorless to Light yellow |
| Water Solubility | Insoluble in water but soluble in alcohol and ether. |
| Sensitive | Air Sensitive |
| InChI | 1S/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H |
| InChIKey | KCAQWPZIMLLEAF-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cc(S)cc(c1)C(F)(F)F |
| CAS DataBase Reference | 130783-02-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 3,5-Bis(trifluoromethyl)thiophenol(130783-02-7) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3334 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| HazardClass | IRRITANT, AIR SENSITIVE, STENCH |
| HS Code | 29309090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |