2,5-Bis(trifluoromethyl)benzoic acid
- Product Name2,5-Bis(trifluoromethyl)benzoic acid
- CAS42580-42-7
- MFC9H4F6O2
- MW258.12
- EINECS625-656-0
- MOL File42580-42-7.mol
Chemical Properties
| Melting point | 78-80 °C(lit.) |
| Boiling point | 248.5±40.0 °C(Predicted) |
| Density | 1.527±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 2.80±0.36(Predicted) |
| Appearance | White to off-white Solid |
| InChI | 1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17) |
| InChIKey | PINBPLCVZSKLTF-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F |
| CAS DataBase Reference | 42580-42-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
