3,4-Difluorophenylacetic acid
- Product Name3,4-Difluorophenylacetic acid
- CAS658-93-5
- CBNumberCB6325121
- MFC8H6F2O2
- MW172.13
- EINECS211-527-2
- MDL NumberMFCD00010002
- MOL File658-93-5.mol
Chemical Properties
| Melting point: | 46-50 °C (lit.) |
| Boiling point: | 219°C (rough estimate) |
| Density | 1.3010 (estimate) |
| Flash point: | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 4.06±0.10(Predicted) |
| form | powder to crystaline |
| color | White to Almost white |
| BRN | 2577768 |
| InChI | 1S/C8H6F2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | YCAKYFIYUHHCKW-UHFFFAOYSA-N |
| SMILES | OC(=O)Cc1ccc(F)c(F)c1 |
| CAS DataBase Reference | 658-93-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 3,4-Difluorophenylacetic acid(658-93-5) |
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 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2916399090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications |
Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704: |
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