658-93-5
| Name | 3,4-Difluorophenylacetic acid |
| CAS | 658-93-5 |
| EINECS(EC#) | 211-527-2 |
| Molecular Formula | C8H6F2O2 |
| MDL Number | MFCD00010002 |
| Molecular Weight | 172.13 |
| MOL File | 658-93-5.mol |
Chemical Properties
| Appearance | beige crystalline needles |
| Melting point | 46-50 °C (lit.) |
| Boiling point | 219°C (rough estimate) |
| density | 1.3010 (estimate) |
| Fp | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystaline |
| pka | 4.06±0.10(Predicted) |
| color | White to Almost white |
| BRN | 2577768 |
| InChI | 1S/C8H6F2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | YCAKYFIYUHHCKW-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(F)c(F)c1 |
| CAS DataBase Reference | 658-93-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 3,4-Difluorophenylacetic acid(658-93-5) |
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 |