5-Fluoro-2-(trifluoromethyl)benzoic acid
- Product Name5-Fluoro-2-(trifluoromethyl)benzoic acid
- CAS654-99-9
- CBNumberCB0137517
- MFC8H4F4O2
- MW208.11
- EINECS626-221-8
- MDL NumberMFCD00083521
- MOL File654-99-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 80-83 °C (lit.) |
| Boiling point | 238.2±40.0 °C(Predicted) |
| Density | 1.489±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | slightly sol. in Methanol |
| form | powder to crystal |
| pka | 2.89±0.36(Predicted) |
| color | White to Almost white |
| BRN | 2618195 |
| InChI | InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14) |
| InChIKey | BRFNBGWEOKQIND-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(F)=CC=C1C(F)(F)F |
| CAS DataBase Reference | 654-99-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-37/39-37 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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