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| | 5-Bromo-2-methylbenzoic acid Basic information |
| | 5-Bromo-2-methylbenzoic acid Chemical Properties |
| Melting point | 167-171°C | | Boiling point | 319.4±30.0 °C(Predicted) | | density | 1.599±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | soluble in Methanol | | pka | 3.48±0.25(Predicted) | | form | powder to crystal | | color | White to Almost white | | InChI | InChI=1S/C8H7BrO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11) | | InChIKey | SEENCYZQHCUTSB-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC(Br)=CC=C1C | | CAS DataBase Reference | 79669-49-1(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 22-36/37/38 | | Safety Statements | 26 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | HazardClass | IRRITANT | | PackingGroup | Ⅲ | | HS Code | 29163990 |
| | 5-Bromo-2-methylbenzoic acid Usage And Synthesis |
| Chemical Properties | Off-white Powder. | | Uses | 2-Methyl-5-bromobenzoic acid is used in organic synthesis and pharmaceutical intermediates. It is used in the synthesis of 5-bromo-2-methyl-N-(quinolin-8-yl)benzamide, (5-Bromo-2-methylphenyl)(thiophen-2-yl)-methanone and 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene. | | Synthesis | In a reaction vessel equipped with a mechanical stirrer, a solution of 2-methylbenzoic acid (10.00 g, 73.45 mmol, 1.0 equivalent) in concentrated sulfuric acid (15 mL) at room temperature, bromine (17.6 g, 110.14 mmol, 1. 5 equivalents) was added dropwise over 10 minutes and stirred at 25 ° C. for 20 hours. The reaction solution was injected into ice water (60 ml), and the precipitated solid was filtered, washed with water (20 mL), and air-dried at 60 ° C. overnight to obtain a bromo compound (15.2 g, 97%, addition rate: 95.7).5-Br body / 3-Br body = 62: 38). The obtained crude bromo compound (3 g) was dissolved in ethanol (9 mL) at 70 ° C., cooled to 20 ° C., and stirred at the same temperature for 30 minutes at 10 ° C. or lower for 3 hours. The precipitated crystals were filtered and air-dried at 60 ° C. overnight to obtain 5-Bromo-2-methylbenzoic acid(1.19 g, 5-Br / 3-Br = 91: 9, total yield: 38.5%).
 | | References | [1] Patent: CN103980263, 2016, B. Location in patent: Paragraph 0034 |
| | 5-Bromo-2-methylbenzoic acid Preparation Products And Raw materials |
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