3-BROMO-2-HYDROXY-5-NITROBENZALDEHYDE manufacturers
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| | 3-BROMO-2-HYDROXY-5-NITROBENZALDEHYDE Basic information |
| | 3-BROMO-2-HYDROXY-5-NITROBENZALDEHYDE Chemical Properties |
| Melting point | 146-149 °C | | Boiling point | 299.6±40.0 °C(Predicted) | | density | 1.928±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | powder to crystal | | pka | 3.38±0.44(Predicted) | | color | Light orange to Yellow to Green | | Sensitive | Air Sensitive | | BRN | 1213613 | | InChI | InChI=1S/C7H4BrNO4/c8-6-2-5(9(12)13)1-4(3-10)7(6)11/h1-3,11H | | InChIKey | BESBCGANGAEHPM-UHFFFAOYSA-N | | SMILES | C(=O)C1=CC([N+]([O-])=O)=CC(Br)=C1O | | CAS DataBase Reference | 16789-84-7(CAS DataBase Reference) |
| Hazard Codes | Xn,Xi | | Risk Statements | 22 | | Safety Statements | 36/37 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | HazardClass | IRRITANT | | PackingGroup | III | | HS Code | 2913000090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral |
| | 3-BROMO-2-HYDROXY-5-NITROBENZALDEHYDE Usage And Synthesis |
| Synthesis Reference(s) | The Journal of Organic Chemistry, 72, p. 5867, 2007 DOI: 10.1021/jo070477u | | Synthesis | General procedure for the synthesis of 3-bromo-2-hydroxy-5-nitrobenzaldehyde from 5-nitrosalicylaldehyde: 2-hydroxy-5-nitrobenzaldehyde (2.0 g, 12 mmol) and dichloromethane (30 mL) were added to a 100 mL two-necked flask, followed by the addition of bromine (2.24 g, 14 mmol) dropwise. The reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, the reaction was quenched with saturated aqueous sodium thiosulfate (100 mL) and the mixture was transferred to a separatory funnel for layering. The aqueous phase was extracted with ethyl acetate (100 mL × 2). The organic phases were combined, washed with saturated brine (80 mL × 2), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: ethyl acetate/petroleum ether, v/v = 1/20) to afford 3-bromo-2-hydroxy-5-nitrobenzaldehyde as a yellow solid (2.89 g, 98% yield). Mass spectrum (ES-API, cation mode) m/z: 246.9 [M + 2]+. | | References | [1] Organic Letters, 2011, vol. 13, # 1, p. 26 - 29
[2] Tetrahedron Letters, 2005, vol. 46, # 51, p. 8959 - 8963
[3] Patent: WO2017/36404, 2017, A1. Location in patent: Page/Page column 115
[4] Journal of Organic Chemistry, 2007, vol. 72, # 15, p. 5867 - 5869
[5] Patent: CN108623615, 2018, A. Location in patent: Paragraph 0332; 0547; 0548; 0549 |
| | 3-BROMO-2-HYDROXY-5-NITROBENZALDEHYDE Preparation Products And Raw materials |
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