602-94-8
| Name | Pentafluorobenzoic acid |
| CAS | 602-94-8 |
| EINECS(EC#) | 210-026-6 |
| Molecular Formula | C7HF5O2 |
| MDL Number | MFCD00002406 |
| Molecular Weight | 212.07 |
| MOL File | 602-94-8.mol |
Chemical Properties
| Appearance | white to light yellow crystal powder |
| Melting point | 100-102 °C (lit.) |
| Boiling point | 220 °C (lit.) |
| density | 1,944 g/cm3 |
| Fp | 219-221°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Soluble), Methanol (Slightly) |
| form | crystal |
| pka | 1.75(at 25℃) |
| color | white |
| BRN | 2054395 |
| InChI | InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14) |
| InChIKey | YZERDTREOUSUHF-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F |
| CAS DataBase Reference | 602-94-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, pentafluoro-(602-94-8) |
| EPA Substance Registry System | 602-94-8(EPA Substance) |
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 | T,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DH6195000 |
| Hazard Note | Irritant |
| TSCA | T |
| HazardClass | IRRITANT |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity |