3,4,5-Trifluorobenzoic acid
- Product Name3,4,5-Trifluorobenzoic acid
- CAS121602-93-5
- CBNumberCB8777009
- MFC7H3F3O2
- MW176.09
- EINECS624-063-4
- MDL NumberMFCD00074962
- MOL File121602-93-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 97-99 °C (lit.) |
| Boiling point | 116-118C/100Torr |
| Density | 1,12g/cm |
| refractive index | 1,471-1,473 |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 3.46±0.10(Predicted) |
| color | White to Almost white |
| BRN | 7476737 |
| InChI | InChI=1S/C7H3F3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| InChIKey | VJMYKESYFHYUEQ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(F)=C(F)C(F)=C1 |
| CAS DataBase Reference | 121602-93-5(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 3,4,5-trifluoro- (121602-93-5) |
| 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 | 26-37/39-36 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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