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| | 5-BROMO-2-METHYLBENZOTHIAZOLE Basic information |
| Product Name: | 5-BROMO-2-METHYLBENZOTHIAZOLE | | Synonyms: | 5-BroMo-2-Mehyl benzothiazole;5-BROMO-2-METHYLBENZOTHIAZOLE;2-METHYL-5-BROMOBENZOTHIAZOLE;Bromomethylbenzothiazole;5-Bromo-2-methybenzothiazole;5-Bromo-2-methyl-1,3-benzthiazole;5-BROMO-2-METHYLBENZ;5-Bromo-2-methyl-1,3-benzothiazole | | CAS: | 63837-11-6 | | MF: | C8H6BrNS | | MW: | 228.11 | | EINECS: | 264-510-7 | | Product Categories: | | | Mol File: | 63837-11-6.mol |  |
| | 5-BROMO-2-METHYLBENZOTHIAZOLE Chemical Properties |
| Melting point | 79°C | | Boiling point | 170 °C / 10mmHg | | density | 1.644±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,2-8°C | | pka | 1.14±0.10(Predicted) | | form | powder to crystal | | color | White to Orange to Green | | InChI | InChI=1S/C8H6BrNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3 | | InChIKey | OLQKNZNXLBILDD-UHFFFAOYSA-N | | SMILES | S1C2=CC=C(Br)C=C2N=C1C | | CAS DataBase Reference | 63837-11-6(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36/37/39 | | WGK Germany | 3 | | HS Code | 2934208090 | | Storage Class | 13 - Non Combustible Solids |
| | 5-BROMO-2-METHYLBENZOTHIAZOLE Usage And Synthesis |
| Chemical Properties | Light yellow solid | | Synthesis | Step A: Sodium nitrite (0.9 g, 13 mmol) was added in batches to a suspension of 2-methyl-5-aminobenzothiazole dihydrochloride (2.0 g, 8 mmol) in hydrobromic acid (24 ml) at 0 °C. The resulting mixture was slowly added dropwise to a solution of copper (I) bromide (4.0 g, 14 mmol) in hydrobromic acid (50 ml) at 0°C. The reaction mixture was stirred continuously at 0 °C for 2 h before the reaction was terminated by the addition of water. The pH of the reaction mixture was adjusted to 9 with aqueous ammonium hydroxide and subsequently extracted with ethyl acetate. The organic layers were combined, dried with magnesium sulfate and purified by column chromatography (eluent ratio 9:1 heptane/ethyl acetate) to afford the target product 2-methyl-5-bromobenzothiazole (1.0 g, 52% yield, 82% GC purity). The structure of the product was confirmed by 1H NMR (300 MHz, DMSO-d6): δ 8.12 (d, J=1.8 Hz, 1H), 8.02 (dd, J=8.4,1.5 Hz, 1H), 7.56 (dd, J=8.7,2.1 Hz, 1H), 2.81 (s, 3H). | | References | [1] Patent: US2006/52378, 2006, A1. Location in patent: Page/Page column 108 |
| | 5-BROMO-2-METHYLBENZOTHIAZOLE Preparation Products And Raw materials |
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