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| | 3-Bromo-5-fluorobenzoic acid Basic information |
| | 3-Bromo-5-fluorobenzoic acid Chemical Properties |
| Melting point | 140 °C | | Boiling point | 303.3±27.0 °C(Predicted) | | density | 1.789±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 3.47±0.10(Predicted) | | color | White to Almost white | | Water Solubility | Insoluble in water. | | InChI | InChI=1S/C7H4BrFO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11) | | InChIKey | KLSLJMGWUPAQGZ-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC(F)=CC(Br)=C1 | | CAS DataBase Reference | 176548-70-2(CAS DataBase Reference) |
| | 3-Bromo-5-fluorobenzoic acid Usage And Synthesis |
| Chemical Properties | light yellow powder | | Uses | 3-Bromo-5-fluorobenzoic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields. | | Synthesis | The general procedure for the synthesis of 3-bromo-5-fluorobenzoic acid from 3-bromo-5-fluorobenzonitrile was as follows: 3-bromo-5-fluorobenzonitrile (2.8 g, 13.8 mmol) was mixed with 5 M aqueous sodium hydroxide (28 mL) and heated to reflux for 2 hr. Upon completion of the reaction, the mixture was cooled to room temperature and the pH was adjusted with concentrated hydrochloric acid to 1. Subsequently, the precipitate precipitated was collected by filtration, the solid was washed with cold water and dried to give 3-bromo-5-fluorobenzoic acid (2.8 g, 94% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CD3OD): δ 6.31 (dt, J = 8.08, 2.02 Hz, 1H), 6.37-6.43 (m, 1H), 6.68 (s, 1H). | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 22, p. 6974 - 6979,6 |
| | 3-Bromo-5-fluorobenzoic acid Preparation Products And Raw materials |
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