Pentafluorobenzoic acid
- Product NamePentafluorobenzoic acid
- CAS602-94-8
- MFC7HF5O2
- MW212.07
- EINECS210-026-6
- MOL File602-94-8.mol
Chemical Properties
| Melting point | 100-102 °C (lit.) |
| Boiling point | 220 °C (lit.) |
| Density | 1,944 g/cm3 |
| Flash point | 219-221°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Soluble), Methanol (Slightly) |
| pka | 1.75(at 25℃) |
| form | crystal |
| 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 | Benzoic acid, pentafluoro- (602-94-8) |
Safety Information
| Hazard Codes | T,Xi |
| Risk Statements | 25-36/37/38 |
| Safety Statements | 26-45-36/37/39-24/25 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | DH6195000 |
| TSCA | TSCA listed |
| HazardClass | IRRITANT |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | LD50 ipr-mus: 178 mg/kg JMCMAR 11,1020,68 |
