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| | 3-Bromo-5-(trifluoromethyl)benzoic acid Basic information |
| Product Name: | 3-Bromo-5-(trifluoromethyl)benzoic acid | | Synonyms: | Benzoic acid, 3-bromo-5-(trifluoromethyl)-;3-BROMO-5-(TRIFLUOROMETHYL)BENZOIC ACID;Bromotrifluoromethylbenzoic acid;3-Bromo-5-(trifluoromethyl)benzoic acid ,98%;3-Bromo-5-(trifluoromethyl)benzoic;3-Bromo-5-carboxybenzotrifluoride, 5-Bromo-alpha,alpha,alpha-trifluoro-m-toluic acid;3-Bromo-5-(trifluoromethyl)benzoic Acid >;3-Bromo-5-(trifluoromethyl)benzoicaci | | CAS: | 328-67-6 | | MF: | C8H4BrF3O2 | | MW: | 269.02 | | EINECS: | | | Product Categories: | Fluorine series;blocks;Bromides;Carboxes | | Mol File: | 328-67-6.mol |  |
| | 3-Bromo-5-(trifluoromethyl)benzoic acid Chemical Properties |
| Melting point | 132.3-132.8 | | Boiling point | 284.3±40.0 °C(Predicted) | | density | 1.773±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | form | Solid | | pka | 3.38±0.10(Predicted) | | color | White to Light yellow | | InChI | InChI=1S/C8H4BrF3O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14) | | InChIKey | AMZBKZQMAZWIJM-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC(C(F)(F)F)=CC(Br)=C1 | | CAS DataBase Reference | 328-67-6(CAS DataBase Reference) |
| | 3-Bromo-5-(trifluoromethyl)benzoic acid Usage And Synthesis |
| Chemical Properties | Solid | | Synthesis | a) Synthesis of 3-bromo-5-trifluoromethylbenzoic acid (Compound 1.2): 36N sulfuric acid (1.5 mL) and N-bromosuccinimide (NBS, 2.75 g, 15.0 mmol) were sequentially added to a solution of trifluoroacetic acid (TFA, 5 mL) of 3-trifluoromethylbenzoic acid (1.90 g, 10.0 mmol) at room temperature. The reaction mixture was stirred for 30 min and then poured into water (200 mL) under vigorous stirring. The resulting suspension was filtered and the solid product was washed with water and dried to give the target compound 1.2 (2.45 g, 90% yield). | | References | [1] Patent: US2006/69261, 2006, A1. Location in patent: Page/Page column 18 |
| | 3-Bromo-5-(trifluoromethyl)benzoic acid Preparation Products And Raw materials |
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