136547-17-6
| Name | 4-(Trifluoromethyl)-2-pyrimidinethiol |
| CAS | 136547-17-6 |
| EINECS(EC#) | 625-180-3 |
| Molecular Formula | C5H3F3N2S |
| MDL Number | MFCD00115113 |
| Molecular Weight | 180.15 |
| MOL File | 136547-17-6.mol |
Chemical Properties
| Appearance | orange needle-like crystalline solid |
| 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 Data
| Hazard Codes | T,Xi |
| Risk Statements | |
| Safety Statements | |
| 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 |