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| | 2-methylsulfonylbenzaldehyde Basic information |
| | 2-methylsulfonylbenzaldehyde Chemical Properties |
| Melting point | 98-99 °C(Solv: water (7732-18-5)) | | Boiling point | 385.7±34.0 °C(Predicted) | | density | 1.289±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C, stored under nitrogen | | form | solid | | Appearance | White to off-white Solid | | InChI | 1S/C8H8O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-6H,1H3 | | InChIKey | HFOCAQPWSXBFFN-UHFFFAOYSA-N | | SMILES | CS(=O)(C1=CC=CC=C1C=O)=O |
| WGK Germany | WGK 3 | | HS Code | 2913000090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | 2-methylsulfonylbenzaldehyde Usage And Synthesis |
| Synthesis | 2-Fluorobenzaldehyde (12.4 g, 0.1 mol, 1 eq.) and methanesulfonic acid (11.2 g, 0.11 mol, 1.1 eq.) were dissolved in DMSO (75 ml) and heated to 100 °C for 16 hours. After completion of the reaction, the mixture was cooled to room temperature and poured into crushed ice (100 g). The resulting 2-(methylsulfonyl)benzaldehyde was collected by filtration and dried under vacuum at 45 °C for 16 h to give a yellow solid product (9.2 g, 50% yield). The product was characterized as follows: 1H NMR (300 MHz, CDCl3) δ 10.77 (1H, s, CHO), 8.18-8.16 (1H, m, ArH), 8.10-8.08 (1H, m, ArH), 7.83-7.80 (2H, m, ArH), 3.28 (3H, s, SO2CH3); LCMS (6 min) Rt = 1.93 min, (M++1) = 185.1. | | References | [1] Patent: WO2004/52858, 2004, A2. Location in patent: Page 109 |
| | 2-methylsulfonylbenzaldehyde Preparation Products And Raw materials |
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