72505-21-6
| Name | 4-(Trifluoromethyl)thiobenzamide |
| CAS | 72505-21-6 |
| EINECS(EC#) | 673-951-8 |
| Molecular Formula | C8H6F3NS |
| MDL Number | MFCD00051806 |
| Molecular Weight | 205.2 |
| MOL File | 72505-21-6.mol |
Chemical Properties
| Appearance | Yellow crystalline powder |
| Melting point | 136-137 °C |
| Boiling point | 246.0±50.0 °C(Predicted) |
| density | 1.372±0.06 g/cm3(Predicted) |
| storage temp. | Refrigerator (+4°C) |
| form | powder to crystal |
| pka | 12.04±0.29(Predicted) |
| color | Light yellow to Yellow to Green |
| Sensitive | Stench |
| BRN | 4672885 |
| InChI | InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13) |
| InChIKey | IPRFNMJROWWFBH-UHFFFAOYSA-N |
| SMILES | C1(C(N)=S)=CC=C(C(F)(F)F)C=C1 |
| CAS DataBase Reference | 72505-21-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-(Trifluoromethyl)thiobenzamide(72505-21-6) |
Safety Data
| Hazard Codes | Xn,Xi,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2811 |
| Hazard Note | Irritant/Stench |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 13 - Non Combustible Solids |
