4-(Trifluoromethyl)mandelic acid
- Product Name4-(Trifluoromethyl)mandelic acid
- CAS395-35-7
- CBNumberCB5124503
- MFC9H7F3O3
- MW220.15
- EINECS206-900-1
- MDL NumberMFCD00009724
- MOL File395-35-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 130-134 °C |
| Boiling point | 324.2±37.0 °C(Predicted) |
| Density | 1.3670 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.06±0.10(Predicted) |
| form | solid |
| Appearance | White to off-white Solid |
| BRN | 2979949 |
| InChI | 1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15) |
| InChIKey | SDGXYUQKJPFLDG-UHFFFAOYSA-N |
| SMILES | OC(C(O)=O)c1ccc(cc1)C(F)(F)F |
| CAS DataBase Reference | 395-35-7(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 37/39-26 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29181990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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