113798-74-6
| Name | 2,3,6-TRIFLUOROPHENOL |
| CAS | 113798-74-6 |
| Molecular Formula | C6H3F3O |
| MDL Number | MFCD00061214 |
| Molecular Weight | 148.08 |
| MOL File | 113798-74-6.mol |
Chemical Properties
| Appearance | clear light yellow liquid after melting |
| Melting point | 33-37 °C (lit.) |
| Boiling point | 137.0±35.0 °C(Predicted) |
| density | 1.456 g/cm |
| Fp | 147 °F |
| storage temp. | Sealed in dry,2-8°C |
| form | powder to lump to clear liquid |
| pka | 6.45±0.15(Predicted) |
| color | White or Colorless to Yellow to Orange |
| Water Solubility | Soluble in water (47.267 mg/L est.) |
| BRN | 4976927 |
| InChI | 1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H |
| InChIKey | QSFGUSFDWCVXNR-UHFFFAOYSA-N |
| SMILES | Oc1c(F)ccc(F)c1F |
| CAS DataBase Reference | 113798-74-6(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1325 4.1/PG 2 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 4.1 |
| PackingGroup | III |
| HS Code | 29081990 |
| Storage Class | 4.1B - Flammable solid hazardous materials |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Sol. 1 Skin Irrit. 2 STOT SE 3 |