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| | 2-Amino-3-bromobenzoic acid Basic information |
| | 2-Amino-3-bromobenzoic acid Chemical Properties |
| Melting point | 173 °C | | Boiling point | 343.5±32.0 °C(Predicted) | | density | 1.793±0.06 g/cm3(Predicted) | | Fp | 161°C | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | solubility | soluble in Methanol | | pka | 4.55±0.10(Predicted) | | form | Solid | | color | White to pale yellow | | λmax | 323nm(Phosphate buffer sol.)(lit.) | | InChI | InChI=1S/C7H6BrNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11) | | InChIKey | SRIZNTFPBWRGPB-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=CC(Br)=C1N | | CAS DataBase Reference | 20776-51-6(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn,T | | Risk Statements | 22-36/37/38-25 | | Safety Statements | 26-36/37/39-45 | | RIDADR | UN 2811 6.1 / PGIII | | WGK Germany | 3 | | Hazard Note | Irritant | | HS Code | 2922498590 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral |
| | 2-Amino-3-bromobenzoic acid Usage And Synthesis |
| Chemical Properties | white to light yellow crystal powder | | Uses |
2-amino-3-bromobenzoic acid is used as pharmaceutical intermediates.
| | Synthesis | The general procedure for the synthesis of 2-amino-3-bromobenzoic acid from 7-bromoindigo is as follows: commercially available 7-bromoindigo (18.0 g, 79.6 mmol) was dissolved in 5% aqueous sodium hydroxide solution (400 mL), and 30% aqueous hydrogen peroxide solution (22.5 mL, 199 mmol) was added slowly and dropwise at 50 °C. The reaction mixture was stirred continuously at 50 °C for 30 min. Subsequently, the reaction solution was cooled to room temperature and neutralized to neutral with 2.0 mol/L hydrochloric acid solution. The precipitated solid product was collected by filtration and dried under reduced pressure overnight to give the final target compound 2-amino-3-bromobenzoic acid. | | References | [1] Patent: EP2708540, 2014, A1. Location in patent: Paragraph 0085
[2] Patent: US2008/153802, 2008, A1. Location in patent: Page/Page column 114
[3] Proceedings of the Royal Society of London, Series B: Biological Sciences, 1958, vol. 148, p. 481,488
[4] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 4, p. 1270 - 1274
[5] ACS Medicinal Chemistry Letters, 2016, vol. 7, # 9, p. 831 - 834 |
| | 2-Amino-3-bromobenzoic acid Preparation Products And Raw materials |
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