85068-33-3
| Name | 3,5-Bis(trifluoromethyl)phenylacetic acid |
| CAS | 85068-33-3 |
| EINECS(EC#) | 285-295-6 |
| Molecular Formula | C10H6F6O2 |
| MDL Number | MFCD00009908 |
| Molecular Weight | 272.14 |
| MOL File | 85068-33-3.mol |
Chemical Properties
| Appearance | white to beige powder |
| Melting point | 121-123 °C (lit.) |
| Boiling point | 227.7±35.0 °C(Predicted) |
| density | 1.4478 (estimate) |
| storage temp. | Store at room temperature |
| solubility | methanol: soluble25mg/mL, clear, colorless |
| form | powder to crystal |
| pka | 3.99±0.10(Predicted) |
| color | White to Almost white |
| Detection Methods | HPLC,NMR |
| BRN | 6813447 |
| InChI | 1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18) |
| InChIKey | PAWSKKHEEYTXSA-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| CAS DataBase Reference | 85068-33-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetic acid, 3,5-bis(trifluoromethyl)-(85068-33-3) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |