779-89-5
| Name | 3-(Trifluoromethyl)cinnamic acid |
| CAS | 779-89-5 |
| EINECS(EC#) | 212-301-6 |
| Molecular Formula | C10H7F3O2 |
| MDL Number | MFCD00004393 |
| Molecular Weight | 216.16 |
| MOL File | 779-89-5.mol |
Chemical Properties
| Appearance | White Solid |
| Melting point | 135-137 °C(lit.) |
| Boiling point | 224°C (rough estimate) |
| density | 1.3275 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.25±0.10(Predicted) |
| color | White to Off-White |
| Usage | Had sedative hypnotic activity in mice, showing potent inhibition of spontaneous motility. |
| BRN | 1963372 |
| InChI | InChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15) |
| InChIKey | KSBWHDDGWSYETA-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C=CC1=CC=CC(C(F)(F)F)=C1 |
| CAS DataBase Reference | 779-89-5(CAS DataBase Reference) |
| EPA Substance Registry System | 779-89-5(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | Yes |
| REACH Registrations | Active |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
