3,5-Bis(trifluoromethyl)benzoic acid
- Product Name3,5-Bis(trifluoromethyl)benzoic acid
- CAS725-89-3
- MFC9H4F6O2
- MW258.12
- EINECS211-970-1
- MOL File725-89-3.mol
Chemical Properties
| Melting point | 142-143 °C(lit.) |
| Boiling point | 223.9±40.0 °C(Predicted) |
| Density | 1,42 g/cm3 |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO, Methanol |
| form | Solid |
| pka | 3.34±0.10(Predicted) |
| color | White to Off-White |
| Water Solubility | Slightly soluble in water. |
| BRN | 2058600 |
| InChI | InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17) |
| InChIKey | HVFQJWGYVXKLTE-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 |
| CAS DataBase Reference | 725-89-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 3,5-Bis(trifluoromethyl)benzoic acid(725-89-3) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 3 |
| RTECS | DG4448020 |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
