2,3,4-Trifluorobenzoic acid
- Product Name2,3,4-Trifluorobenzoic acid
- CAS61079-72-9
- MFC7H3F3O2
- MW176.09
- EINECS612-077-3
- MOL File61079-72-9.mol
Chemical Properties
| Melting point | 140-142 °C (lit.) |
| Boiling point | 245.3±35.0 °C(Predicted) |
| Density | 1,404g/cm |
| refractive index | 1,482 |
| storage temp. | 2-8°C |
| solubility | DMSO, Methanol |
| form | Solid |
| pka | 2.87±0.10(Predicted) |
| color | White |
| BRN | 7476020 |
| InChI | InChI=1S/C7H3F3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12) |
| InChIKey | WEPXLRANFJEOFZ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(F)C(F)=C1F |
| CAS DataBase Reference | 61079-72-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,3,4-Trifluorobenzoic acid(61079-72-9) |
| EPA Substance Registry System | Benzoic acid, 2,3,4-trifluoro- (61079-72-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39-36 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
