4-(Trifluoromethyl)-2-pyrimidinethiol
- Product Name4-(Trifluoromethyl)-2-pyrimidinethiol
- CAS136547-17-6
- MFC5H3F3N2S
- MW180.15
- EINECS625-180-3
- MOL File136547-17-6.mol
Chemical Properties
| Melting point | 164-166 °C (lit.) |
| Boiling point | 146.0±50.0 °C(Predicted) |
| Density | 1.4933 (estimate) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | solid |
| pka | 4.96±0.10(Predicted) |
| Sensitive | Stench |
| InChI | 1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11) |
| InChIKey | HDGJASCXBNRLGA-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccnc(S)n1 |
| CAS DataBase Reference | 136547-17-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | T,Xi |
| Risk Statements | 23/24/25 |
| Safety Statements | 36/37/39-45 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| Hazard Note | Irritant/Stench |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29335990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral |
