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| | 4-Bromo-3-methylbenzoic acid Basic information |
| | 4-Bromo-3-methylbenzoic acid Chemical Properties |
| Melting point | 212-216 °C(lit.) | | Boiling point | 311.4±30.0 °C(Predicted) | | density | 1.599±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 4.04±0.10(Predicted) | | form | Powder | | color | Yellow to orange to tan | | BRN | 2356649 | | InChI | InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11) | | InChIKey | KWVXDZLVCISXIB-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC=C(Br)C(C)=C1 | | CAS DataBase Reference | 7697-28-1(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29163990 |
| | 4-Bromo-3-methylbenzoic acid Usage And Synthesis |
| Synthesis |
A suspension of 4-Amino-3-methylbenzoic acid (73 g, 0.483 mol) in water (411 mL) and 47percent HBr (486 mL) was stirred at 25 ℃ for 1 h and then the reaction mixture was cooled to -2 ℃. A solution of sodium nitrate (32 g, 0.463 mol) in water (100 mL) was added to the reaction mixture over 15 min, maintaining the temperature at -1 ℃ to -2°C. The reaction mixture was stirred at -1 ℃ to -2 ℃ for 1.5h. The reaction mixture was added slowly to a suspension of copper(l)bromide (73 g, 0.508 mol) in water (73 mL) and aqueous HBr (73 mL). The reaction mixture was stirred at 250C for 1 h and then digested at 70 °C for 1 h. The solid was filtered, washed with water till the pH of the filtrate was 7 and dried to obtain 4-Bromo-3-methylbenzoic acid.
| | References | [1] Patent: WO2006/51477, 2006, A2. Location in patent: Page/Page column 54
[2] American Chemical Journal, 1881, vol. 3, p. 431
[3] Patent: US5409928, 1995, A |
| | 4-Bromo-3-methylbenzoic acid Preparation Products And Raw materials |
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