4-Bromo-2-fluorobenzoic acid
- Product Name4-Bromo-2-fluorobenzoic acid
- CAS112704-79-7
- CBNumberCB7141193
- MFC7H4BrFO2
- MW219.01
- EINECS630-232-3
- MDL NumberMFCD00143263
- MOL File112704-79-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 211-215 °C (lit.) |
| Boiling point | 289.4±25.0 °C(Predicted) |
| Density | 1.7218 (rough estimate) |
| refractive index | 1.4240 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Solubility in methanol, very faint turbidity. |
| form | Solid |
| pka | 3.04±0.10(Predicted) |
| color | White |
| BRN | 6323931 |
| InChI | InChI=1S/C7H4BrFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11) |
| InChIKey | ZQQSRVPOAHYHEL-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(Br)C=C1F |
| CAS DataBase Reference | 112704-79-7(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 4-bromo-2-fluoro- (112704-79-7) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
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-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 37/39-26 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163990 | |||||||||
| NFPA 704: |
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